5CFM
 
 | | Crystal structure of anemone STING (Nematostella vectensis) in complex with 3', 3' cGAMP, c[G(3', 5')pA(3', 5')p] | | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, CITRATE ANION, Stimulator of Interferon Genes | | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | | Deposit date: | 2015-07-08 | | Release date: | 2015-08-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.994 Å) | | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling.
Mol.Cell, 59, 2015
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3L7M
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4Y3W
 | | Endothiapepsin in complex with fragment 35 | | Descriptor: | (2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine, 1,2-ETHANEDIOL, Endothiapepsin, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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7K9Y
 | | GsI-IIC RT Template-Switching Complex (twinned) | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*TP*CP*CP*AP*GP*GP*CP*AP*AP*C)-3'), MAGNESIUM ION, ... | | Authors: | Stamos, J.L, Lentzsch, A.M. | | Deposit date: | 2020-09-29 | | Release date: | 2021-08-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for template switching by a group II intron-encoded non-LTR-retroelement reverse transcriptase.
J.Biol.Chem., 297, 2021
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2X4S
 | | Crystal structure of MHC CLass I HLA-A2.1 bound to a peptide representing the epitope of the H5N1 (Avian Flu) Nucleoprotein | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | | Authors: | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | | Deposit date: | 2010-02-02 | | Release date: | 2010-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals
J.Am.Chem.Soc., 131, 2009
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7CLS
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3LCD
 | | Inhibitor Bound to A DFG-In structure of the Kinase Domain of CSF-1R | | Descriptor: | Macrophage colony-stimulating factor 1 receptor, N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine, SULFATE ION | | Authors: | Kamtekar, S, Day, J.E, Reitz, B.A, Mathis, K.J, Meyers, M.J. | | Deposit date: | 2010-01-10 | | Release date: | 2010-03-02 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode
Bioorg.Med.Chem.Lett., 20, 2010
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6ESK
 | | Structure of the apo form of AioX from Rhizobium sp. str. NT-26 | | Descriptor: | GLYCEROL, Putative periplasmic phosphite-binding-like protein (Pbl) PtxB-like protein designated AioX | | Authors: | Djordjevic, S, Badilla, C, Cole, A, Santini, J. | | Deposit date: | 2017-10-20 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A new family of periplasmic-binding proteins that sense arsenic oxyanions.
Sci Rep, 8, 2018
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6AUI
 | | Human ribonucleotide reductase large subunit (alpha) with dATP and CDP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Brignole, E.J, Drennan, C.L, Asturias, F.J, Tsai, K.L, Penczek, P.A. | | Deposit date: | 2017-09-01 | | Release date: | 2018-04-18 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | 3.3- angstrom resolution cryo-EM structure of human ribonucleotide reductase with substrate and allosteric regulators bound.
Elife, 7, 2018
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6SFE
 | | CRYSTAL STRUCTURE OF DHQ1 FROM SALMONELLA TYPHI COVALENTLY MODIFIED BY COMPOUND 7 | | Descriptor: | (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | | Authors: | Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2019-08-01 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product.
Chemistry, 26, 2020
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7JQU
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7B88
 | | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 inhibitor | | Descriptor: | 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Chaikuad, A, Schierle, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-12 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics.
J.Med.Chem., 64, 2021
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7JQS
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7JQR
 | | Abeta 16-36 beta-hairpin mimic with E22G Arctic mutation | | Descriptor: | Abeta 16-36 beta-hairpin mimic VAL-ORN-LYS-LEU-VAL-MEA-PHE-ALA-GLY-ORN-ALA-ILE-ILE-GLY-LEU-MET, IODIDE ION | | Authors: | Kreutzer, A.G, McKnelly, K.J, Nowick, J.S. | | Deposit date: | 2020-08-11 | | Release date: | 2021-09-08 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Effects of Familial Alzheimer's Disease Mutations on the Assembly of a beta-Hairpin Peptide Derived from A beta 16-36 .
Biochemistry, 61, 2022
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6ASO
 | | Structure of yeast U6 snRNP with 3'-phosphate terminated U6 RNA | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, POTASSIUM ION, ... | | Authors: | Montemayor, E.J, Brow, D.A, Butcher, S.E. | | Deposit date: | 2017-08-25 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Architecture of the U6 snRNP reveals specific recognition of 3'-end processed U6 snRNA.
Nat Commun, 9, 2018
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5GY3
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6F93
 | | Helicobacter pylori serine hydroxymethyl transferase in apo form | | Descriptor: | Serine hydroxymethyltransferase | | Authors: | Sodolescu, A, Dian, C, Terradot, L, Bouzhir-Sima, L, Lestini, R, Myllykallio, H, Skouloubris, S, Liebl, U. | | Deposit date: | 2017-12-13 | | Release date: | 2018-12-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and functional insight into serine hydroxymethyltransferase from Helicobacter pylori.
PLoS ONE, 13, 2018
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7D7X
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7JQT
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4Y9V
 | | Gp54 tailspike of Acinetobacter baumannii bacteriophage AP22 in complex with A. baumannii capsular saccharide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-alpha-D-fucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-mannopyranuronic acid, CHLORIDE ION, ... | | Authors: | Buth, S.A, Shneider, M.M, Leiman, P.G. | | Deposit date: | 2015-02-17 | | Release date: | 2017-02-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Structure of Acinetobacter baumannii bacteriophage AP22 polysaccharide degrading lyase in complex with A. baumannii capsular saccharide at 0.9 A resolution
TO BE PUBLISHED
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5JGD
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12 | | Descriptor: | N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | Deposit date: | 2016-04-20 | | Release date: | 2016-07-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
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3LIM
 | | Crystal structure of the pore forming toxin frac from sea anemone actinia fragacea | | Descriptor: | Fragaceatoxin C, LAURYL DIMETHYLAMINE-N-OXIDE | | Authors: | Mechaly, A.E, Bellomio, A, Morante, K, Gonzalez-Manas, J.M, Guerin, D.M.A. | | Deposit date: | 2010-01-25 | | Release date: | 2010-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the oligomerization and architecture of eukaryotic membrane pore-forming toxins.
Structure, 19, 2011
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6EXY
 | | Neutron crystal structure of perdeuterated galectin-3C in complex with glycerol | | Descriptor: | GLYCEROL, Galectin-3 | | Authors: | Manzoni, F, Schrader, T.E, Ostermann, A, Oksanen, E, Logan, D.T. | | Deposit date: | 2017-11-10 | | Release date: | 2018-09-12 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | | Cite: | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
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8KI5
 | | PhmA, a type I diterpene synthase without NST/DTE motif | | Descriptor: | (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, PhmA | | Authors: | Zhang, B, Ge, H.M, Zhu, A, Zhang, Y. | | Deposit date: | 2023-08-22 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Biosynthesis of Platelet Activating Factor Antagonist Phomactins Revealing a New Class of Type I Diterpene Synthase
To Be Published
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3LJD
 | | The X-ray structure of zebrafish RNase1 from a new crystal form at pH 4.5 | | Descriptor: | ACETATE ION, SULFATE ION, Zebrafish RNase1 | | Authors: | Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. | | Deposit date: | 2010-01-26 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | A new RNase sheds light on the RNase/angiogenin subfamily from zebrafish.
Biochem.J., 433, 2010
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