2D47
| MOLECULAR STRUCTURE OF A COMPLETE TURN OF A-DNA | Descriptor: | DNA (5'-D(*CP*CP*CP*CP*CP*GP*CP*GP*GP*GP*GP*G)-3'), SPERMINE | Authors: | Verdaguer, N, Aymami, J, Fernandez-Forner, D, Fita, I, Coll, M, Huynh-Dinh, T, Igolen, J, Subirana, J.A. | Deposit date: | 1991-10-02 | Release date: | 1991-10-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular structure of a complete turn of A-DNA. J.Mol.Biol., 221, 1991
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7FJO
| Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with three T6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, T6 heavy chain, ... | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | Deposit date: | 2021-08-04 | Release date: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
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7FJN
| Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with two T6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, T6 heavy chain, ... | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | Deposit date: | 2021-08-04 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
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8T3N
| Solution NMR structure of synthetic peptide AMPCry10Aa_5 rational designed from Cry10Aa bacterial protein | Descriptor: | Pesticidal crystal protein Cry10Aa peptide | Authors: | Barra, J.B, Freitas, C.D.P, Rios, T.B, Maximiano, M.R, Fernandes, F.C, Amorim, G.C, Porto, W.F, Grossi-de-Sa, M.F, Franco, O.F, Liao, L.M. | Deposit date: | 2023-06-07 | Release date: | 2024-06-12 | Last modified: | 2024-07-24 | Method: | SOLUTION NMR | Cite: | Anti-Staphy Peptides Rationally Designed from Cry10Aa Bacterial Protein. Acs Omega, 9, 2024
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7FJS
| Crystal structure of T6 Fab bound to theSARS-CoV-2 RBD of B.1.351 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, T6 heavy chain, ... | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | Deposit date: | 2021-08-04 | Release date: | 2022-04-27 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants. Iscience, 25, 2022
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6XV9
| Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | Authors: | Ogg, D.J, Howard, T, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-21 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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6U85
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6XVJ
| Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-22 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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4NEH
| An internal ligand-bound, metastable state of a leukocyte integrin, aXb2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Sen, M, Yuki, K, Springer, T.A. | Deposit date: | 2013-10-29 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7505 Å) | Cite: | An internal ligand-bound, metastable state of a leukocyte integrin, alpha X beta 2. J.Cell Biol., 203, 2013
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1KU7
| Crystal Structure of Thermus aquatics RNA Polymerase SigmaA Subunit Region 4 Bound to-35 Element DNA | Descriptor: | 5'-D(*CP*CP*TP*TP*GP*AP*CP*AP*AP*AP*G)-3', 5'-D(*CP*CP*TP*TP*TP*GP*TP*CP*AP*AP*G)-3', sigma factor sigA | Authors: | Campbell, E.A, Muzzin, O, Chlenov, M, Sun, J.L, Olson, C.A, Weinman, O, Trester-Zedlitz, M.L, Darst, S.A. | Deposit date: | 2002-01-21 | Release date: | 2002-03-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the bacterial RNA polymerase promoter specificity sigma subunit. Mol.Cell, 9, 2002
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1KU3
| Crystal Structure of Thermus aquaticus RNA Polymerase Sigma Subunit Fragment, Region 4 | Descriptor: | sigma factor sigA | Authors: | Campbell, E.A, Muzzin, O, Chlenov, M, Sun, J.L, Olson, C.A, Weinman, O, Trester-Zedlitz, M.L, Darst, S.A. | Deposit date: | 2002-01-21 | Release date: | 2002-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the bacterial RNA polymerase promoter specificity sigma subunit. Mol.Cell, 9, 2002
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5NKT
| FimA wt from E. coli | Descriptor: | SULFATE ION, Type-1 fimbrial protein, A chain | Authors: | Zyla, D, Capitani, G, Prota, A, Glockshuber, R. | Deposit date: | 2017-04-03 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Alternative folding to a monomer or homopolymer is a common feature of the type 1 pilus subunit FimA from enteroinvasive bacteria. J.Biol.Chem., 2019
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8QJI
| Crystal structure of GSK3b in complex with N-(4-(5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl)pyridin-2-yl)cyclopropanecarboxamide inhibitor (TW362) | Descriptor: | Glycogen synthase kinase-3 beta, N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide | Authors: | Slugocka, E.A, Grygier, P, Wichur, T, Czarna, A, Wieckowska, A. | Deposit date: | 2023-09-13 | Release date: | 2024-09-04 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Exploring Novel GSK-3 beta Inhibitors for Anti-Neuroinflammatory and Neuroprotective Effects: Synthesis, Crystallography, Computational Analysis, and Biological Evaluation. Acs Chem Neurosci, 15, 2024
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6XVK
| Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-22 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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6XVA
| Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor bearing an acrylamide | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-21 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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6XVB
| Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788 | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-21 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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2CF4
| Pyrococcus horikoshii TET1 peptidase can assemble into a tetrahedron or a large octahedral shell | Descriptor: | COBALT (II) ION, PROTEIN PH0519 | Authors: | Vellieux, F.M.D, Schoehn, G, Dura, M.A, Roussel, A, Franzetti, B. | Deposit date: | 2006-02-15 | Release date: | 2006-09-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | An Archaeal Peptidase Assembles Into Two Different Quaternary Structures: A Tetrahedron and a Giant Octahedron. J.Biol.Chem., 281, 2006
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4NEN
| An internal ligand-bound, metastable state of a leukocyte integrin, aXb2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sen, M, Yuki, K, Springer, T.A. | Deposit date: | 2013-10-29 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9012 Å) | Cite: | An internal ligand-bound, metastable state of a leukocyte integrin, alpha X beta 2. J.Cell Biol., 203, 2013
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4MMZ
| Integrin AlphaVBeta3 ectodomain bound to an antagonistic tenth domain of Fibronectin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fibronectin, ... | Authors: | van Agthoven, J, Xiong, J, Arnaout, M.A. | Deposit date: | 2013-09-09 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for pure antagonism of integrin alpha V beta 3 by a high-affinity form of fibronectin. Nat.Struct.Mol.Biol., 21, 2014
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2Z0M
| Crystal structure of hypothetical ATP-dependent RNA helicase from Sulfolobus tokodaii | Descriptor: | 337aa long hypothetical ATP-dependent RNA helicase deaD | Authors: | Nakagawa, N, Kusano, S, Shirouzu, M, Chen, L, Fu, Z.-Q, Chrzas, J, Wang, B.-C, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-05-07 | Release date: | 2007-11-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of hypothetical ATP-dependent RNA helicase from Sulfolobus tokodaii To be Published
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2FIC
| The crystal structure of the BAR domain from human Bin1/Amphiphysin II and its implications for molecular recognition | Descriptor: | Myc box-dependent-interacting protein 1, XENON | Authors: | Casal, E, Federici, L, Zhang, W, Fernandez-Recio, J, Priego, E.M, Miguel, R.N, Duhadaway, J.B, Prendergast, G.C, Luisi, B.F, Laue, E.D. | Deposit date: | 2005-12-29 | Release date: | 2006-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The Crystal Structure of the BAR Domain from Human Bin1/Amphiphysin II and Its Implications for Molecular Recognition Biochemistry, 45, 2006
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2JMJ
| NMR solution structure of the PHD domain from the yeast YNG1 protein in complex with H3(1-9)K4me3 peptide | Descriptor: | Histone H3, Protein YNG1, ZINC ION | Authors: | Ilin, S, Taverna, S.D, Rogers, R.S, Tanny, J.C, Lavender, H, Li, H, Baker, L, Boyle, J, Blair, L.P, Chait, B.T, Patel, D.J, Aitchison, J.D, Tackett, A.J, Allis, C.D. | Deposit date: | 2006-11-15 | Release date: | 2007-07-03 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Yng1 PHD finger binding to H3 trimethylated at K4 promotes NuA3 HAT activity at K14 of H3 and transcription at a subset of targeted ORFs Mol.Cell, 24, 2006
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5OUN
| NMR solution structure of the external DII domain of Rvb2 from Saccharomyces cerevisiae | Descriptor: | RuvB-like protein 2 | Authors: | Rouillon, C, Bragantini, B, Charpentier, B, Manival, X, Quinternet, M. | Deposit date: | 2017-08-24 | Release date: | 2018-03-28 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | NMR assignment and solution structure of the external DII domain of the yeast Rvb2 protein. Biomol NMR Assign, 12, 2018
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1NCV
| DETERMINATION CC-CHEMOKINE MCP-3, NMR, 7 STRUCTURES | Descriptor: | MONOCYTE CHEMOATTRACTANT PROTEIN 3 | Authors: | Meunier, S, Bernassau, J.M, Guillemot, J.C, Ferrara, P, Darbon, H. | Deposit date: | 1997-02-05 | Release date: | 1997-10-15 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Determination of the three-dimensional structure of CC chemokine monocyte chemoattractant protein 3 by 1H two-dimensional NMR spectroscopy. Biochemistry, 36, 1997
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3HGA
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