1OGU
 
 | | STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR | | Descriptor: | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2003-05-13 | | Release date: | 2003-09-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Design of 2-Arylamino-4-Cyclohexyl Methyl-5-Nitroso-6-Aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2
Bioorg.Med.Chem.Lett., 13, 2003
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1OGI
 | | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY AND ALA 160 REPLACED BY THR (T155G-A160T) | | Descriptor: | FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Hermoso, J.A, Mayoral, T, Julvez, M.M, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | | Deposit date: | 2003-05-06 | | Release date: | 2003-09-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Involvement of the Pyrophosphate and the 2'-Phosphate Binding Regions of Ferredoxin-Nadp+ Reductase in Coenzyme Specificity.
J.Biol.Chem., 278, 2003
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3PDI
 | | Precursor bound NifEN | | Descriptor: | IRON/SULFUR CLUSTER, L-Cluster (Fe8S9), Nitrogenase MoFe cofactor biosynthesis protein NifE, ... | | Authors: | Kaiser, J.T, Hu, Y, Wiig, J.A, Rees, D.C, Ribbe, M.W. | | Deposit date: | 2010-10-22 | | Release date: | 2011-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Precursor-Bound NifEN: A Nitrogenase FeMo Cofactor Maturase/Insertase.
Science, 331, 2011
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4AJJ
 | | rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid and N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide | | Descriptor: | 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Patel, J, Greenwood, R. | | Deposit date: | 2012-02-16 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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3PBJ
 | | Hydrolytic catalysis and structural stabilization in a designed metalloprotein | | Descriptor: | CHLORIDE ION, COIL SER L9L-Pen L23H, MERCURY (II) ION, ... | | Authors: | Zastrow, M.L, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2010-10-20 | | Release date: | 2011-11-30 | | Last modified: | 2022-05-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Hydrolytic catalysis and structural stabilization in a designed metalloprotein.
Nat Chem, 4, 2012
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4AMU
 | | Structure of ornithine carbamoyltransferase from Mycoplasma penetrans with a P321 space group | | Descriptor: | ORNITHINE CARBAMOYLTRANSFERASE, CATABOLIC | | Authors: | Gallego, P, Benach, J, Planell, R, Querol, E, Perez-Pons, J.A, Reverter, D. | | Deposit date: | 2012-03-13 | | Release date: | 2012-03-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Characterization of the Enzymes Composing the Arginine Deiminase Pathway in Mycoplasma Penetrans.
Plos One, 7, 2012
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3PBY
 | | Crystal structure of the mutant L123S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, GLYCEROL, Orotidine 5'-monophosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Iiams, V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-10-21 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site.
Biochemistry, 50, 2011
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4B8S
 | | Crystal Structure of Thermococcus litoralis ADP-dependent Glucokinase (GK) | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADP-DEPENDENT GLUCOKINASE, GLYCEROL, ... | | Authors: | Herrera-Morande, A, Rivas-Pardo, J.A, Fernandez, F.J, Guixe, V, Vega, M.C. | | Deposit date: | 2012-08-30 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Crystal Structure, Saxs and Kinetic Mechanism of Hyperthermophilic Adp-Dependent Glucokinase from Thermococcus Litoralis Reveal a Conserved Mechanism for Catalysis.
Plos One, 8, 2013
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6ZWV
 | | Cryo-EM structure of SARS-CoV-2 Spike Proteins on intact virions: 3 Closed RBDs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Ke, Z, Qu, K, Nakane, T, Xiong, X, Cortese, M, Zila, V, Scheres, S.H.W, Briggs, J.A.G. | | Deposit date: | 2020-07-28 | | Release date: | 2020-08-05 | | Last modified: | 2020-12-30 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures and distributions of SARS-CoV-2 spike proteins on intact virions.
Nature, 588, 2020
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5MAP
 | | X-ray generated oxyferrous complex of DtpA from Streptomyces lividans | | Descriptor: | DtpA, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Moreno Chicano, T, Chaplin, A.K, Worrall, J.A.R, Strange, R.W, Hough, M.A. | | Deposit date: | 2016-11-04 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Photoreduction and validation of haem-ligand intermediate states in protein crystals by in situ single-crystal spectroscopy and diffraction.
IUCrJ, 4, 2017
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1R1L
 | | Structure of dimeric antithrombin complexed with a P14-P9 reactive loop peptide and an exogenous tripeptide (formyl-norleucine-LF) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin P14-P9 peptide, Antithrombin-III, ... | | Authors: | Zhou, A, Huntington, J.A, Lomas, D.A, Stein, P.E, Carrell, R.W. | | Deposit date: | 2003-09-24 | | Release date: | 2004-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Serpins and the design of peptides to block intermolecular beta-linkages
To be Published
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5MCZ
 | | The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=-1, twist=0 | | Descriptor: | Capsid protein p24 | | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | Deposit date: | 2016-11-10 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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5MDB
 | | The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=17, twist=-6 | | Descriptor: | Gag protein | | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | Deposit date: | 2016-11-10 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.4 Å) | | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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3O6H
 | | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | | Descriptor: | 1,2-ETHANEDIOL, 2-[({4-[(ethylamino)methyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, DIMETHYL SULFOXIDE, ... | | Authors: | Maclean, J.K.F, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Martin, F, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | | Deposit date: | 2010-07-29 | | Release date: | 2010-09-15 | | Last modified: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A novel series of positive modulators of the AMPA receptor: structure-based lead optimization.
Bioorg.Med.Chem.Lett., 20, 2010
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4B14
 | | Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 26) | | Descriptor: | 2-oxopentadecyl-CoA, 3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate, CHLORIDE ION, ... | | Authors: | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2012-07-06 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
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5MD8
 | | The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=17, twist=12 | | Descriptor: | Gag protein | | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | Deposit date: | 2016-11-10 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.6 Å) | | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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3NQD
 | | Crystal structure of the mutant I96T of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-06-29 | | Release date: | 2011-05-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.423 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site.
Biochemistry, 50, 2011
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1RJ4
 | | Structure of a Cell Wall Invertase Inhibitor from Tobacco in Complex with Cd2+ | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, invertase inhibitor | | Authors: | Hothorn, M, D'Angelo, I, Marquez, J.A, Greiner, S, Scheffzek, K. | | Deposit date: | 2003-11-18 | | Release date: | 2004-02-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The invertase inhibitor Nt-CIF from tobacco: a highly thermostable four-helix bundle with an unusual N-terminal extension
J.Mol.Biol., 335, 2004
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6ZOX
 | | Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x2 disulphide-bond mutant, G413C, V987C, single Arg S1/S2 cleavage site) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | | Deposit date: | 2020-07-08 | | Release date: | 2020-07-22 | | Last modified: | 2021-06-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
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6ZP2
 | | Structure of SARS-CoV-2 Spike Protein Trimer (K986P, V987P, single Arg S1/S2 cleavage site) in Locked State | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | | Deposit date: | 2020-07-08 | | Release date: | 2020-07-22 | | Last modified: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
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1RQ7
 | | MYCOBACTERIUM TUBERCULOSIS FTSZ IN COMPLEX WITH GDP | | Descriptor: | Cell division protein ftsZ, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Leung, A.K.W, White, E.L, Ross, L.J, Reynolds, R.C, DeVito, J.A, Borhani, D.W. | | Deposit date: | 2003-12-04 | | Release date: | 2004-08-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Mycobacterium tuberculosis FtsZ reveals unexpected, G protein-like conformational switches.
J.Mol.Biol., 342, 2004
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5MCY
 | | The structure of the mature HIV-1 CA pentamer in intact virus particles | | Descriptor: | Capsid protein p24 | | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | Deposit date: | 2016-11-10 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.8 Å) | | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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5ME8
 | | N-terminal domain of the human tumor suppressor ING5 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Inhibitor of growth protein 5 | | Authors: | Roversi, P, Blanco, F.J, Rojas, A.L, Buitrago, J.A.R. | | Deposit date: | 2016-11-14 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Tumor Suppressor ING5 Is a Dimeric, Bivalent Recognition Molecule of the Histone H3K4me3 Mark.
J.Mol.Biol., 431, 2019
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1RD3
 | | 2.5A Structure of Anticoagulant Thrombin Variant E217K | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Carter, W.J, Myles, T, Leung, L.L, Huntington, J.A. | | Deposit date: | 2003-11-05 | | Release date: | 2004-05-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Anticoagulant Thrombin Variant E217K Provides Insights into Thrombin Allostery
J.Biol.Chem., 279, 2004
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4C9I
 | | Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 1E protein (Form B) | | Descriptor: | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, GLYCEROL, MAJOR STRAWBERRY ALLERGEN FRA A 1-E | | Authors: | Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A. | | Deposit date: | 2013-10-02 | | Release date: | 2013-10-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates.
J.Biol.Chem., 288, 2013
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