6VLU
| Factor XIa in complex with compound 7 | Descriptor: | CITRIC ACID, Coagulation factor XIa light chain, N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide | Authors: | Lesburg, C.A, Fradera, X. | Deposit date: | 2020-01-27 | Release date: | 2020-05-06 | Last modified: | 2020-10-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery. J.Chem.Inf.Model., 60, 2020
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3TNU
| Heterocomplex of coil 2B domains of human intermediate filament proteins, keratin 5 (KRT5) and keratin 14 (KRT14) | Descriptor: | Keratin, type I cytoskeletal 14, type II cytoskeletal 5 | Authors: | Lee, C.H, Kim, M.S, Leahy, D.J, Coulombe, P.A. | Deposit date: | 2011-09-02 | Release date: | 2012-06-20 | Last modified: | 2012-08-01 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Structural basis for heteromeric assembly and perinuclear organization of keratin filaments. Nat.Struct.Mol.Biol., 19, 2012
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1R36
| NMR-based structure of autoinhibited murine Ets-1 deltaN301 | Descriptor: | C-ets-1 protein | Authors: | Lee, G.M, Donaldson, L.W, Pufall, M.A, Kang, H.-S, Pot, I, Graves, B.J, McIntosh, L.P. | Deposit date: | 2003-09-30 | Release date: | 2004-11-09 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | The Structural and Dynamic Basis of Ets-1 DNA Binding Autoinhibition J.Biol.Chem., 280, 2005
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6CXO
| Complement component-9 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement component C9, ... | Authors: | Law, R.H.P, Spicer, B.A, Caradoc-Davies, T.T. | Deposit date: | 2018-04-03 | Release date: | 2018-09-05 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The first transmembrane region of complement component-9 acts as a brake on its self-assembly. Nat Commun, 9, 2018
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3TP7
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4YQP
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5KXK
| Hen Egg White Lysozyme at 100K, Data set 1 | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-20 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.198 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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4YBJ
| Type II Dasatinib Analog Crystallized with c-Src Kinase | Descriptor: | 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Kwarcinski, F.E, Brandvold, K.B, Johnson, T.K, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B. | Deposit date: | 2015-02-18 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity. Acs Chem.Biol., 11, 2016
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3UWJ
| Human Thrombin In Complex With MI353 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, N-(benzylsulfonyl)-D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-12-02 | Release date: | 2012-12-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3I3W
| Structure of a phosphoglucosamine mutase from Francisella tularensis | Descriptor: | Phosphoglucosamine mutase, ZINC ION | Authors: | Brunzelle, J.S, Wawrzak, Z, Skarina, T, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-01 | Release date: | 2010-01-19 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a phosphoglucosamine mutase from Francisella tularensis To be Published
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5X2O
| Crystal structure of the medaka fish taste receptor T1r2a-T1r3 ligand binding domains in complex with L-arginine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, CALCIUM ION, ... | Authors: | Nuemket, N, Yasui, N, Atsumi, N, Yamashita, A. | Deposit date: | 2017-02-02 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for perception of diverse chemical substances by T1r taste receptors Nat Commun, 8, 2017
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6VOC
| icosahedral symmetry reconstruction of brome mosaic virus (RNA 3+4) | Descriptor: | Capsid protein | Authors: | Beren, C, Cui, Y.X, Chakravarty, A, Yang, X, Rao, A.L.N, Knobler, C.M, Zhou, Z.H, Gelbart, W.M. | Deposit date: | 2020-01-30 | Release date: | 2020-05-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Genome organization and interaction with capsid protein in a multipartite RNA virus. Proc.Natl.Acad.Sci.USA, 117, 2020
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8UUV
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12197 | Descriptor: | CHLORIDE ION, N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, Papain-like protease nsp3, ... | Authors: | Ansari, A, Tan, B, Arnold, E, Ruiz, F.X, Wang, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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4YAV
| Crystal structure of LigG in complex with B-glutathionyl-acetoveratrone (GS-AV) from Sphingobium sp. strain SYK-6 | Descriptor: | Glutathione S-transferase, L-gamma-glutamyl-3-{(E)-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-lambda~4~-sulfanyl}-L-alanylglycine, SULFATE ION | Authors: | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6. J.Biol.Chem., 291, 2016
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6ECP
| The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY249543 | Descriptor: | Methylenetetrahydrofolate dehydrogenase cyclohydrolase, N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bueno, R.V, Dawson, A, Hunter, W.N. | Deposit date: | 2018-08-08 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement. Acta Crystallogr F Struct Biol Commun, 75, 2019
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8VG8
| Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) Bound to 4CPPC | Descriptor: | 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-23 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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6VP5
| Ethylene forming enzyme (EFE) D191E variant in complex with Fe(II), L-arginine, and 2OG | Descriptor: | 2-OXOGLUTARIC ACID, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ... | Authors: | Davis, K.M, Copeland, R.A, Boal, A.K. | Deposit date: | 2020-02-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | An Iron(IV)-Oxo Intermediate Initiating l-Arginine Oxidation but Not Ethylene Production by the 2-Oxoglutarate-Dependent Oxygenase, Ethylene-Forming Enzyme. J.Am.Chem.Soc., 143, 2021
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3BW8
| Crystal structure of the Clostridium limosum C3 exoenzyme | Descriptor: | Mono-ADP-ribosyltransferase C3, SULFATE ION | Authors: | Vogelsgesang, M, Stieglitz, B, Herrmann, C, Pautsch, A, Aktories, K. | Deposit date: | 2008-01-08 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the Clostridium limosum C3 exoenzyme. Febs Lett., 582, 2008
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5M7I
| Crystal structure of GH125 1,6-alpha-mannosidase mutant from Clostridium perfringens in complex with 1,6-alpha-mannobiose | Descriptor: | alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose, exo-alpha-1,6-mannosidase | Authors: | Males, A, Alonso-Gil, S, Fernandes, P, Williams, S.J, Rovira, C, Davies, G.J. | Deposit date: | 2016-10-27 | Release date: | 2016-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 alpha-Mannosidases. J. Am. Chem. Soc., 139, 2017
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4YD9
| Crystal structure of squid hemocyanin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CU2-O2 CLUSTER, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Matsuno, A, Gai, Z, Kato, K, Tanaka, Y, Yao, M. | Deposit date: | 2015-02-21 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of the 3.8-MDa Respiratory Supermolecule Hemocyanin at 3.0 angstrom Resolution Structure, 23, 2015
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6VP6
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8VFW
| Crystal Structure of V113N D-Dopachrome Tautomerase (D-DT) | Descriptor: | CITRIC ACID, D-dopachrome decarboxylase | Authors: | Parkins, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-22 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8UN9
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8VFN
| Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 310K | Descriptor: | D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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4HA1
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