5UJR
| NMR Solution Structure of the Two-component Bacteriocin CbnXY | Descriptor: | Bacteriocin | Authors: | Acedo, J.Z, Towle, K.M, Lohans, C.T, McKay, R.T, Miskolzie, M, Doerksen, T, Vederas, J.C, Martin-Visscher, L.A. | Deposit date: | 2017-01-18 | Release date: | 2017-11-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Identification and three-dimensional structure of carnobacteriocin XY, a class IIb bacteriocin produced by Carnobacteria. FEBS Lett., 591, 2017
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7N9J
| Crystal structure of H2DB in complex with HSF2 melanoma neoantigen | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M. | Deposit date: | 2021-06-18 | Release date: | 2022-06-22 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structure of the complex between H2DB and melanoma HSF2 neoantigen YGFRNVVHI To be Published
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7NA5
| Structure of the H2DB-TCR ternary complex with HSF2 melanoma neoantigen | Descriptor: | 47BE7 TCR alpha chain, 47BE7 TCR beta chain, Beta-2-microglobulin, ... | Authors: | Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M. | Deposit date: | 2021-06-19 | Release date: | 2022-06-22 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the TCR-H2DB ternary complex with melanoma HSF2 neoantigen YGFRNVVHI To be Published
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5OS8
| The crystal structure of CK2alpha in complex with compound 11 | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-17 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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6QII
| Xenon derivatization of the F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri | Descriptor: | (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, Coenzyme F420 hydrogenase subunit beta, ... | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | Deposit date: | 2019-01-19 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.28 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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6BRI
| RHCC with unreduced and reduced Mercury complexes | Descriptor: | GLYCEROL, IODIDE ION, MERCURY (II) IODIDE, ... | Authors: | McDougall, M, Trieu, B, Stetefeld, J. | Deposit date: | 2017-11-30 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.266 Å) | Cite: | Reductive power of the archaea right-handed coiled coil nanotube (RHCC-NT) and incorporation of mercury clusters inside protein cages. J. Struct. Biol., 203, 2018
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6ZGY
| Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6QK2
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5OTI
| The crystal structure of CK2alpha in complex with compound 27 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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3RG6
| Crystal structure of a chaperone-bound assembly intermediate of form I Rubisco | Descriptor: | RbcX protein, Ribulose bisphosphate carboxylase large chain | Authors: | Bracher, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2011-04-07 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of a chaperone-bound assembly intermediate of form I Rubisco. Nat.Struct.Mol.Biol., 18, 2011
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5OTS
| The crystal structure of CK2alpha in complex with an analogue of compound 22 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OTY
| The crystal structure of CK2alpha in complex with CAM4712 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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6QJP
| Cryo-EM structure of heparin-induced 2N4R tau jagged filaments | Descriptor: | Microtubule-associated protein tau | Authors: | Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W. | Deposit date: | 2019-01-24 | Release date: | 2019-02-20 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases. Elife, 8, 2019
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5V2V
| Ethylene forming enzyme in complex with nickel | Descriptor: | 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, NICKEL (II) ION | Authors: | Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. | Deposit date: | 2017-03-06 | Release date: | 2017-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist. J. Am. Chem. Soc., 139, 2017
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6BVG
| Crystal structure of bcMalT T280C-E54C crosslinked by divalent mercury | Descriptor: | MERCURY (II) ION, Protein-N(Pi)-phosphohistidine-sugar phosphotransferase (Enzyme II of the phosphotransferase system) (PTS system glucose-specific IIBC component), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Ren, Z, Zhou, M. | Deposit date: | 2017-12-12 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of an EIIC sugar transporter trapped in an inward-facing conformation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5V2Y
| Ethylene forming enzyme in complex with manganese, 2-oxoglutarate and L-arginine | Descriptor: | 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, ... | Authors: | Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. | Deposit date: | 2017-03-06 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.428 Å) | Cite: | Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist. J. Am. Chem. Soc., 139, 2017
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6Q2Y
| Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Metallo-beta-lactamase type 2, ... | Authors: | Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L. | Deposit date: | 2018-12-03 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors. Acs Med.Chem.Lett., 10, 2019
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7N7V
| Crystal structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes at 2 A. | Descriptor: | CHLORIDE ION, FE (II) ION, Predicted hydroxylase | Authors: | Han, L, Xu, W, Ma, M, Miller, M.D, Shen, B, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2021-06-11 | Release date: | 2022-07-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes. To Be Published
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7N9O
| Estrogen Receptor Alpha Ligand Binding Domain in Complex with Aliphatic SERD S-C10(15) | Descriptor: | 10-{[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]sulfanyl}-N-methyl-N-propyldecanamide, Estrogen receptor | Authors: | Diennet, M, El Ezzy, M, Thiombane, K, Cotnoir-White, D, Poupart, J, Gao, Z, Mendoza, S.R, Marinier, A, Gleason, J, Mader, S.C, Fanning, S.W. | Deposit date: | 2021-06-18 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Estrogen Receptor Alpha Ligand Binding Domain in Complex with Aliphatic SERD S-C10(15) To Be Published
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5UTO
| The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstrom resolution | Descriptor: | EDD domain protein, DegV family, PALMITIC ACID | Authors: | Cuypers, M.G, Ericson, M, Subramanian, C, Broussard, T.C, Miller, D.J, White, S.W, Rock, C.O. | Deposit date: | 2017-02-15 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution J.Biol.Chem., 2018
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6Q6T
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5A6K
| GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with Gal-NGT | Descriptor: | (2S,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol, GH20C | Authors: | Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B. | Deposit date: | 2015-06-26 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Second Beta-Hexosaminidase Encoded in the Streptococcus Pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans J.Biol.Chem., 290, 2015
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5LW5
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6QHM
| 14-3-3 sigma with RelA/p65 binding site pS281 | Descriptor: | 14-3-3 protein sigma, LEU-SEP-GLU | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2019-01-16 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products. J.Am.Chem.Soc., 142, 2020
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7N99
| SDE2 SAP domain apo structure | Descriptor: | Isoform 2 of Replication stress response regulator SDE2 | Authors: | Paung, Y, Weinheimer, A.S, Rageul, J, Khan, A, Ho, B, Tong, M, Alphonse, S, Seeliger, M.A, Kim, H. | Deposit date: | 2021-06-17 | Release date: | 2022-10-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Extended DNA-binding interfaces beyond the canonical SAP domain contribute to the function of replication stress regulator SDE2 at DNA replication forks. J.Biol.Chem., 298, 2022
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