4UTS
 
 | | Room temperature crystal structure of the fast switching M159T mutant of fluorescent protein Dronpa | | Descriptor: | FLUORESCENT PROTEIN DRONPA | | Authors: | Kaucikas, M, Fitzpatrick, A, Bryan, E, Struve, A, Henning, R, Kosheleva, I, Srajer, V, van Thor, J.J. | | Deposit date: | 2014-07-22 | | Release date: | 2015-06-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Room Temperature Crystal Structure of the Fast Switching M159T Mutant of the Fluorescent Protein Dronpa.
Proteins, 83, 2015
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4UXD
 | | 2-keto 3-deoxygluconate aldolase from Picrophilus torridus | | Descriptor: | 1,2-ETHANEDIOL, 2-DEHYDRO-3-DEOXY-D-GLUCONATE/2-DEHYDRO-3-DEOXY-PHOSPHOGLUCONATE ALDOLASE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Priftis, A, Zaitsev, V, Reher, M, Johnsen, U, Danson, M.J, Taylor, G.L, Schoenheit, P, Crennell, S.J. | | Deposit date: | 2014-08-22 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into the Substrate Specificity of Archaeal Entner-Doudoroff Aldolases: The Structures of Picrophilus torridus 2-Keto-3-deoxygluconate Aldolase and Sulfolobus solfataricus 2-Keto-3-deoxy-6-phosphogluconate Aldolase in Complex with 2-Keto-3-deoxy-6-phosphogluconate.
Biochemistry, 57, 2018
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9D7S
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with Api antimicrobial peptide, mRNA, A-site release factor 1, and deacylated P-site and E-site tRNAphe at 2.85A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Aleksandrova, E.V, Huang, W, Baliga, C, Atkinson, G.C, Vazquez-Laslop, N, Mankin, A.S, Polikanov, Y.S. | | Deposit date: | 2024-08-17 | | Release date: | 2024-11-13 | | Last modified: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Activity, structure, and diversity of Type II proline-rich antimicrobial peptides from insects.
Embo Rep., 25, 2024
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4UXN
 | | LSD1(KDM1A)-CoREST in complex with Z-Pro derivative of MC2580 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, ... | | Authors: | Rodriguez, V, Valente, S, Stazi, G, Lucidi, A, Mercurio, C, Vianello, P, Ciossani, G, Mattevi, A, Botrugno, O.A, Dessanti, P, Minucci, S, Varasi, M, Mai, A. | | Deposit date: | 2014-08-27 | | Release date: | 2015-02-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Pyrrole- and Indole-Containing Tranylcypromine Derivatives as Novel Lysine-Specific Demethylase 1 Inhibitors Active on Cancer Cells
Chemmedchem, 6, 2015
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4UY4
 | | 1.86 A structure of human Spindlin-4 protein in complex with histone H3K4me3 peptide | | Descriptor: | GLYCEROL, HISTONE H3K4ME3, SPINDLIN-4 | | Authors: | Talon, R, Gileadi, C, Johansson, C, Burgess-Brown, N, Shrestha, L, von Delft, F, Krojer, T, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U. | | Deposit date: | 2014-08-28 | | Release date: | 2014-09-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.862 Å) | | Cite: | 1.86 A Structure of Human Spindlin-4 Protein in Complex with Histone H3K4Me3 Peptide
To be Published
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9D7R
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with Fva1 antimicrobial peptide, mRNA, A-site release factor 1, and deacylated P-site and E-site tRNAphe at 2.70A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Aleksandrova, E.V, Huang, W, Baliga, C, Atkinson, G.C, Vazquez-Laslop, N, Mankin, A.S, Polikanov, Y.S. | | Deposit date: | 2024-08-17 | | Release date: | 2024-11-13 | | Last modified: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Activity, structure, and diversity of Type II proline-rich antimicrobial peptides from insects.
Embo Rep., 25, 2024
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4V37
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7LP0
 | | Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-077 | | Descriptor: | 1,2-ETHANEDIOL, 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one, DIMETHYL SULFOXIDE, ... | | Authors: | Chan, A, Schonbrunn, E. | | Deposit date: | 2021-02-11 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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4V1M
 | | Architecture of the RNA polymerase II-Mediator core transcription initiation complex | | Descriptor: | 5'-D(*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP)-3', 5'-D(*CP*CP*AP*GP*GP*AP)-3', 5'-D(*TP*CP*AP*AP*GP*TP*AP*CP*TP*TP*TP*TP*TP*CP *CP*BRUP*GP*GP*TP*C)-3', ... | | Authors: | Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P. | | Deposit date: | 2014-09-29 | | Release date: | 2015-02-04 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Architecture of the RNA Polymerase II-Mediator Core Initiation Complex.
Nature, 518, 2015
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5VPK
 | | CRYSTAL STRUCTURE OF MITE ALLERGEN DER F 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Der f 1 variant, SULFATE ION | | Authors: | Chruszcz, M, Chapman, M.D, Vailes, L.D, Pomes, A, Minor, W. | | Deposit date: | 2017-05-05 | | Release date: | 2017-05-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures Of Mite Allergens Der F 1 And Der P 1 Reveal Differences In Surface-Exposed Residues That May Influence Antibody Binding
J.Mol.Biol., 386, 2009
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9D7T
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with Api137 antimicrobial peptide, mRNA, A-site release factor 1, and deacylated P-site and E-site tRNAphe at 2.70A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Aleksandrova, E.V, Huang, W, Baliga, C, Atkinson, G.C, Vazquez-Laslop, N, Mankin, A.S, Polikanov, Y.S. | | Deposit date: | 2024-08-17 | | Release date: | 2024-11-13 | | Last modified: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Activity, structure, and diversity of Type II proline-rich antimicrobial peptides from insects.
Embo Rep., 25, 2024
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5VX9
 | | VP8* of P[6] Human Rotavirus RV3 in complex with LNFP1 | | Descriptor: | Outer capsid protein VP4, SULFATE ION, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Hu, L, Venkataram Prasad, B.V. | | Deposit date: | 2017-05-23 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.822 Å) | | Cite: | Glycan recognition in globally dominant human rotaviruses.
Nat Commun, 9, 2018
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5VYG
 | | Crystal structure of hFA9 EGF repeat with O-glucose trisaccharide | | Descriptor: | CALCIUM ION, Coagulation factor IX, alpha-D-xylopyranose-(1-3)-alpha-D-xylopyranose-(1-3)-beta-D-glucopyranose | | Authors: | Yu, H.J, Li, H.L. | | Deposit date: | 2017-05-25 | | Release date: | 2017-08-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | O-Glycosylation modulates the stability of epidermal growth factor-like repeats and thereby regulates Notch trafficking
J. Biol. Chem., 292, 2017
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4UYH
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-((2R,4S)-2-methyl-4-(phenylamino)-6-(4-(piperidin-1-ylmethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone | | Descriptor: | 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone, BROMODOMAIN-CONTAINING PROTEIN 2, DIMETHYL SULFOXIDE, ... | | Authors: | Chung, C, Bamborough, P, Gosmini, R. | | Deposit date: | 2014-08-31 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor.
J.Med.Chem., 57, 2014
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9D0J
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with BT-33, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.50A resolution | | Descriptor: | (4S,5aS,8S,8aR)-N-[(1R,4R,6Z,8R,9R,10R,11R,12S,13R)-4-fluoro-11,12,13-trihydroxy-8-methyl-14-oxa-2-thiabicyclo[8.3.1]tetradec-6-en-9-yl]-4-(2-methylpropyl)octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Tresco, B.I.C, Wu, K.J.Y, Ramkissoon, A, Purdy, M, See, D.N.Y, Liu, R.Y, Myers, A.G, Polikanov, Y.S. | | Deposit date: | 2024-08-07 | | Release date: | 2024-11-20 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of a fluorinated macrobicyclic antibiotic through chemical synthesis.
Nat.Chem., 17, 2025
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5VME
 | | Crystal structure of human IgG1 Fc K248E, T437R mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, human IgG1 Fc K248E,T437R mutant | | Authors: | Armstrong, A.A, Gilliland, G.L. | | Deposit date: | 2017-04-27 | | Release date: | 2017-08-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Functional optimization of agonistic antibodies to OX40 receptor with novel Fc mutations to promote antibody multimerization.
MAbs, 9, 2017
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5VMJ
 | | Influenza hemagglutinin H1 mutant DH1E in complex with 3'SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | | Authors: | Ni, F, Kondrashkina, E, Wang, Q. | | Deposit date: | 2017-04-27 | | Release date: | 2017-11-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Determinant of receptor-preference switch in influenza hemagglutinin.
Virology, 513, 2017
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6VL4
 | | Crystal Structure of mPGES-1 bound to DG-031 | | Descriptor: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, Prostaglandin E synthase, TETRAETHYLENE GLYCOL, ... | | Authors: | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | | Deposit date: | 2020-01-22 | | Release date: | 2020-12-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
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4UVC
 | | LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine | | Descriptor: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | Authors: | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | Deposit date: | 2014-08-05 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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4V3O
 | | Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap. | | Descriptor: | ACETATE ION, CALCIUM ION, YIII_M5_AII | | Authors: | Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P. | | Deposit date: | 2014-10-20 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
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4UTK
 | | XenA - reduced - Y183F variant | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, SULFATE ION, XENOBIOTIC REDUCTASE | | Authors: | Werther, T, Dobbek, H. | | Deposit date: | 2014-07-21 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Nat Commun, 8, 2017
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4UUN
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6W41
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody CR3022 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab heavy chain, CR3022 Fab light chain, ... | | Authors: | Yuan, M, Wu, N.C, Zhu, X.Y, Wilson, I.A. | | Deposit date: | 2020-03-09 | | Release date: | 2020-03-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.084 Å) | | Cite: | A highly conserved cryptic epitope in the receptor binding domains of SARS-CoV-2 and SARS-CoV.
Science, 368, 2020
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5W2Y
 | | INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 9-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID | | Descriptor: | (2R,3R,4R,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid, (2~{R},3~{R},4~{R},5~{R})-3-acetamido-2-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G. | | Deposit date: | 2017-06-07 | | Release date: | 2018-02-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives.
J. Med. Chem., 61, 2018
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6D1U
 | | Crystal structure of the human CLR:RAMP1 extracellular domain heterodimer in complex with adrenomedullin 2/intermedin | | Descriptor: | ADM2, Maltose-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, SODIUM ION, ... | | Authors: | Pioszak, A, Roehrkasse, A. | | Deposit date: | 2018-04-12 | | Release date: | 2018-09-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-function analyses reveal a triple beta-turn receptor-bound conformation of adrenomedullin 2/intermedin and enable peptide antagonist design.
J. Biol. Chem., 293, 2018
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