2E1A
 
 | | crystal structure of FFRP-DM1 | | Descriptor: | 75aa long hypothetical regulatory protein AsnC, SELENOMETHIONINE | | Authors: | Koike, H, Suzuki, M. | | Deposit date: | 2006-10-19 | | Release date: | 2007-09-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Structural Code for Discriminating between Transcription Signals Revealed by the Feast/Famine Regulatory Protein DM1 in Complex with Ligands
Structure, 15, 2007
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2EG7
 | | The crystal structure of E. coli dihydroorotase complexed with HDDP | | Descriptor: | 2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID, Dihydroorotase, ZINC ION | | Authors: | Lee, M, Maher, M.J, Guss, J.M. | | Deposit date: | 2007-02-28 | | Release date: | 2007-07-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Ligand-free and Inhibitor Complexes of Dihydroorotase from Escherichia coli: Implications for Loop Movement in Inhibitor Design
J.Mol.Biol., 370, 2007
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1LLF
 | | Cholesterol Esterase (Candida Cylindracea) Crystal Structure at 1.4A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase 3, TRICOSANOIC ACID | | Authors: | Pletnev, V, Addlagatta, A, Wawrzak, Z, Duax, W. | | Deposit date: | 2002-04-28 | | Release date: | 2003-01-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Three-dimensional structure of homodimeric cholesterol esterase-ligand complex at 1.4 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
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4E9D
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide | | Descriptor: | 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide, GLYCEROL, Serine/threonine-protein kinase PLK1 | | Authors: | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | | Deposit date: | 2012-03-21 | | Release date: | 2012-10-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | High-throughput interrogation of ligand binding mode using a fluorescence-based assay.
Angew.Chem.Int.Ed.Engl., 51, 2012
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5JPV
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8TWH
 | | Crystal structure of (GGGTT)3GGG G-quadruplex in complex with small molecule ligand RHPS4 | | Descriptor: | (GGGTT)3GGG DNA, 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, POTASSIUM ION | | Authors: | Yatsunyk, L.A, Martin, K.N, Lam, G. | | Deposit date: | 2023-08-21 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal structure of (GGGTT)3GGG G-quadruplex in complex with small molecule ligand RHPS4
To be published
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3U87
 | | Structure of a chimeric construct of human CK2alpha and human CK2alpha' in complex with a non-hydrolysable ATP-analogue | | Descriptor: | CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Raaf, J, Issinger, O.-G, Olsen, B. | | Deposit date: | 2011-10-16 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Low-density crystal packing of human protein kinase CK2 catalytic subunit in complex with resorufin or other ligands: a tool to study the unique hinge-region plasticity of the enzyme without packing bias.
Acta Crystallogr.,Sect.D, 68, 2012
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5DPE
 | | Thermolysin in complex with inhibitor. | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Krimmer, S.G, Heine, A, Klebe, G. | | Deposit date: | 2015-09-12 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Thermodynamics of protein-ligand interactions as a reference for computational analysis: how to assess accuracy, reliability and relevance of experimental data.
J. Comput. Aided Mol. Des., 29, 2015
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1RF6
 | | Structural Studies of Streptococcus pneumoniae EPSP Synthase in S3P-GLP Bound State | | Descriptor: | 5-enolpyruvylshikimate-3-phosphate synthase, GLYPHOSATE, SHIKIMATE-3-PHOSPHATE | | Authors: | Park, H, Hilsenbeck, J.L, Kim, H.J, Shuttleworth, W.A, Park, Y.H, Evans, J.N, Kang, C. | | Deposit date: | 2003-11-07 | | Release date: | 2004-02-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural studies of Streptococcus pneumoniae EPSP synthase in unliganded state, tetrahedral intermediate-bound state and S3P-GLP-bound state.
Mol.Microbiol., 51, 2004
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7O7G
 | | Crystal structure of the Shewanella oneidensis MR1 MtrC mutant H561M | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Edwards, M.J, van Wonderen, J.H, Newton-Payne, S.E, Butt, J.N, Clarke, T.A. | | Deposit date: | 2021-04-13 | | Release date: | 2021-10-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Nanosecond heme-to-heme electron transfer rates in a multiheme cytochrome nanowire reported by a spectrally unique His/Met-ligated heme.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4E9C
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LDPPLHSpTA phosphopeptide | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, LDPPLHSpTA phosphopeptide, ... | | Authors: | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | | Deposit date: | 2012-03-21 | | Release date: | 2012-10-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-throughput interrogation of ligand binding mode using a fluorescence-based assay.
Angew. Chem. Int. Ed. Engl., 51, 2012
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8B3R
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8VEV
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8BJL
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4XBE
 | | Crystal structure of human 4E10 Fab in complex with its peptide epitope on HIV-1 gp41: crystals cryoprotected with sphingomyelin (02:0 SM (d18:1/2:0)). | | Descriptor: | 4E10 FAB LIGHT CHAIN, 4E10 Fab heavy chain, PEPTIDE FRAGMENT OF HIV GLYCOPROTEIN (GP41) including the region 671-683 of the MPER, ... | | Authors: | Irimia, A, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2014-12-16 | | Release date: | 2016-02-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.756 Å) | | Cite: | Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
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1X59
 | | Solution structures of the WHEP-TRS domain of human histidyl-tRNA synthetase | | Descriptor: | Histidyl-tRNA synthetase | | Authors: | Nameki, N, Sasagawa, A, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-05-15 | | Release date: | 2005-11-15 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the WHEP-TRS domain of human histidyl-tRNA synthetase
To be Published
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8BYN
 | | Chronic traumatic encephalopathy tau filaments with PET ligand flortaucipir | | Descriptor: | 7-(6-fluoranylpyridin-3-yl)-5~{H}-pyrido[4,3-b]indole, Microtubule-associated protein tau | | Authors: | Shi, Y, Ghetti, B, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2022-12-13 | | Release date: | 2023-01-11 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Cryo-EM Structures of Chronic Traumatic Encephalopathy Tau Filaments with PET Ligand Flortaucipir.
J.Mol.Biol., 435, 2023
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3P8H
 | | Crystal structure of L3MBTL1 (MBT repeat) in complex with a nicotinamide antagonist | | Descriptor: | 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine, GLYCEROL, Lethal(3)malignant brain tumor-like protein, ... | | Authors: | Lam, R, Herold, J.M, Ouyang, H, Tempel, W, Gao, C, Ravichandran, M, Senisterra, G, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Kireev, D, Frye, S.V, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-10-13 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Small-molecule ligands of methyl-lysine binding proteins.
J.Med.Chem., 54, 2011
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2QT6
 | | Crystal Structure Determination of a Blue Laccase from Lentinus Tigrinus | | 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: | Ferraroni, M, Briganti, F, Scozzafava, A. | | Deposit date: | 2007-08-01 | | Release date: | 2007-11-20 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of a blue laccase from Lentinus tigrinus: evidences for intermediates in the molecular oxygen reductive splitting by multicopper oxidases.
Bmc Struct.Biol., 7, 2007
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2PHO
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4XT3
 | | Structure of a viral GPCR bound to human chemokine CX3CL1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fractalkine, G-protein coupled receptor homolog US28, ... | | Authors: | Burg, J.S, Jude, K.M, Waghray, D, Garcia, K.C. | | Deposit date: | 2015-01-22 | | Release date: | 2015-03-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.801 Å) | | Cite: | Structural biology. Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor.
Science, 347, 2015
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3QLZ
 | | Candida glabrata dihydrofolate reductase complexed with NADPH and 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine (UCP130B) | | Descriptor: | 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Paulsen, J.L, Bendel, S.D, Anderson, A.C. | | Deposit date: | 2011-02-03 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity.
Chem.Biol.Drug Des., 78, 2011
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1RF4
 | | Structural Studies of Streptococcus pneumoniae EPSP Synthase, Tetrahedral intermediate Bound State | | Descriptor: | (3R,4S,5R)-5-{[(1R)-1-CARBOXY-2-FLUORO-1-(PHOSPHONOOXY)ETHYL]OXY}-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 5-enolpyruvylshikimate-3-phosphate synthase | | Authors: | Park, H, Hilsenbeck, J.L, Kim, H.J, Shuttleworth, W.A, Park, Y.H, Evans, J.N, Kang, C. | | Deposit date: | 2003-11-07 | | Release date: | 2004-02-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural studies of Streptococcus pneumoniae EPSP synthase in unliganded state, tetrahedral intermediate-bound state and S3P-GLP-bound state.
Mol.Microbiol., 51, 2004
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5AN3
 | | Structure of an Sgt1-Skp1 Complex | | Descriptor: | SGT1, SUPPRESSOR OF KINETOCHORE PROTEIN 1 | | Authors: | Willhoft, O, Vaughan, C.K. | | Deposit date: | 2015-09-03 | | Release date: | 2017-02-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | The crystal structure of the Sgt1-Skp1 complex: the link between Hsp90 and both SCF E3 ubiquitin ligases and kinetochores.
Sci Rep, 7, 2017
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2J9Q
 | | A novel conformation for the TPR domain of pex5p | | Descriptor: | PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR, STRONTIUM ION | | Authors: | Stanley, W.A, Wilmanns, M, Kursula, P. | | Deposit date: | 2006-11-15 | | Release date: | 2007-04-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A Previously Unobserved Conformation for the Human Pex5P Receptor Suggests Roles for Intrinsic Flexibility and Rigid Domain Motions in Ligand Binding
Bmc Struct.Biol., 7, 2007
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