4RWN
 
 | | Crystal structure of the pre-reactive state of porcine OAS1 | | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | | Deposit date: | 2014-12-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
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5A2I
 | | Crystal structure of scFv-SM3 in complex with APD-SGalNAc-RP | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | | Deposit date: | 2015-05-20 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
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7M2J
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3R1Q
 | | CDK2 in complex with inhibitor KVR-1-102 | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-11 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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7M2H
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5A29
 | | Family 2 Pectate Lyase from Vibrio vulnificus | | Descriptor: | 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ... | | Authors: | McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W. | | Deposit date: | 2015-05-15 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2.
J.Biol.Chem., 290, 2015
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2BBF
 | | Crystal structure of tRNA-guanine transglycosylase (TGT) from Zymomonas mobilis in complex with 6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, ZINC ION, tRNA guanine transglycosylase | | Authors: | Stengl, B, Meyer, E.A, Heine, A, Brenk, R, Diederich, F, Klebe, G. | | Deposit date: | 2005-10-17 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding.
J.Mol.Biol., 370, 2007
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7ML8
 | | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ001023038 | | Descriptor: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide, GLUTAMIC ACID, Hexa Vinylpyrrolidone K15, ... | | Authors: | Cuypers, M.G, Slavish, P.J, Yun, M.K, Dubois, R, Rankovic, Z, White, S.W. | | Deposit date: | 2021-04-27 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with St Jude compound AC067-19
To Be Published
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3R1Z
 | | Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Complex with L-Ala-L-Glu and L-Ala-D-Glu | | Descriptor: | ALANINE, D-GLUTAMIC ACID, Enzyme of enolase superfamily, ... | | Authors: | Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-03-11 | | Release date: | 2011-04-20 | | Last modified: | 2012-03-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7LUP
 | | Human TRiC/CCT complex with reovirus outer capsid protein sigma-3 | | Descriptor: | Outer capsid protein sigma-3, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ... | | Authors: | Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S. | | Deposit date: | 2021-02-22 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5A21
 | | Structure of bacteriophage SPP1 head-to-tail interface without DNA and tape measure protein | | Descriptor: | 15 PROTEIN, HEAD COMPLETION PROTEIN GP16, MAJOR TAIL PROTEIN 17.1, ... | | Authors: | Chaban, Y, Lurz, R, Brasiles, S, Cornilleau, C, Karreman, M, Zinn-Justin, S, Tavares, P, Orlova, E.V. | | Deposit date: | 2015-05-06 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (7.2 Å) | | Cite: | Structural Rearrangements in the Phage Head-to-Tail Interface During Assembly and Infection.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4TXN
 | | Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with 5-fluorouracil | | Descriptor: | 5-FLUOROURACIL, SULFATE ION, Uridine phosphorylase | | Authors: | Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2014-07-03 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
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5NSJ
 | | GP1 receptor-binding domain from Whitewater Arroyo mammarenavirus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pre-glycoprotein polyprotein GP complex, ... | | Authors: | Shimon, A, Shani, O, Diskin, R. | | Deposit date: | 2017-04-26 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | Structural Basis for Receptor Selectivity by the Whitewater Arroyo Mammarenavirus.
J. Mol. Biol., 429, 2017
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7LUM
 | | Human TRiC in ATP/AlFx closed state | | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | | Authors: | Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S. | | Deposit date: | 2021-02-22 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5NSS
 | | Cryo-EM structure of RNA polymerase-sigma54 holoenzyme with promoter DNA and transcription activator PspF intermedate complex | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta',DNA-directed RNA polymerase subunit beta',DNA-directed RNA polymerase subunit beta', ... | | Authors: | Glyde, R, Ye, F.Z, Darbari, V.C, Zhang, N, Buck, M, Zhang, X.D. | | Deposit date: | 2017-04-26 | | Release date: | 2017-06-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5.8 Å) | | Cite: | Structures of RNA Polymerase Closed and Intermediate Complexes Reveal Mechanisms of DNA Opening and Transcription Initiation.
Mol. Cell, 67, 2017
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5A2J
 | | Crystal structure of scFv-SM3 in complex with the naked peptide APDTRP | | Descriptor: | 1,2-ETHANEDIOL, SCFV-SM3, THE NAKED PEPTIDE APDTRP | | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | | Deposit date: | 2015-05-20 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4U2H
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5A4W
 | | AtGSTF2 from Arabidopsis thaliana in complex with quercetrin | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, ACETATE ION, GLUTATHIONE S-TRANSFERASE F2 | | Authors: | Ahmad, L, Rylott, E, Bruce, N.C, Edwards, R, Grogan, G. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands.
FEBS Open Bio, 7, 2017
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5AKT
 | | Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: resveratrol-4'-O- glucuronide | | Descriptor: | Resveratrol-4'-O-glucuronide, SULFATE ION, TRANSTHYRETIN | | Authors: | Florio, P, Folli, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R. | | Deposit date: | 2015-03-05 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites
J.Biol.Chem., 290, 2015
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5AG5
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | | Descriptor: | (2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2015-01-29 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
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4TX1
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4TXH
 | | Crystal structure of uridine phosphorylase from Schistosoma mansoni in APO form | | Descriptor: | SULFATE ION, Uridine phosphorylase | | Authors: | Torini, J, Romanello, L, Marinho, A, Brandao-Neto, J, Cassago, A, DeMarco, R, Pereira, H.M. | | Deposit date: | 2014-07-03 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
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5AKN
 | | THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA NICKED IN THE non-CODING STRAND B AND IN THE PRESENCE OF 2MM MN | | Descriptor: | 5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*CP)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP *CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*C)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', ... | | Authors: | Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J. | | Deposit date: | 2015-03-04 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold.
J.Biol.Chem., 290, 2015
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4TYI
 | | Structural analysis of the human Fibroblast Growth Factor Receptor 4 | | Descriptor: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, Fibroblast growth factor receptor 4 | | Authors: | Lesca, E, Lammens, A, Huber, R, Augustin, M. | | Deposit date: | 2014-07-08 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural analysis of the human fibroblast growth factor receptor 4 kinase.
J.Mol.Biol., 426, 2014
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2H76
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