2L07
 
 | | 1H, 13C, and 15N chemical shifts and structure of brazzein-derived peptide CKR-PNG | | Descriptor: | Defensin-like protein | | Authors: | Dittli, S.M, Assadi-Porter, F.M, Rao, H, Tonelli, M. | | Deposit date: | 2010-06-30 | | Release date: | 2011-06-22 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structural role of the terminal disulfide bond in the sweetness of brazzein.
Chem Senses, 36, 2011
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2KYQ
 | | 1H, 15N, 13C chemical shifts and structure of CKR-brazzein | | Descriptor: | Defensin-like protein | | Authors: | Dittli, S.M, Assadi-Porter, F.M, Rao, H, Tonelli, M. | | Deposit date: | 2010-06-07 | | Release date: | 2011-05-18 | | Last modified: | 2011-11-30 | | Method: | SOLUTION NMR | | Cite: | Structural role of the terminal disulfide bond in the sweetness of brazzein.
Chem Senses, 36, 2011
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2MZB
 | | Solution structural studies of GTP:adenosylcobinamide-phosphate guanylyltransferase (CobY) from Methanocaldococcus jannaschii | | Descriptor: | Adenosylcobinamide-phosphate guanylyltransferase | | Authors: | Singarapu, K, Otte, M, Tonelli, M, Westler, W.M, Escalante-Semerena, J.C, Markley, J.L. | | Deposit date: | 2015-02-11 | | Release date: | 2015-11-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution Structural Studies of GTP:Adenosylcobinamide-Phosphateguanylyl Transferase (CobY) from Methanocaldococcus jannaschii.
Plos One, 10, 2015
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2L4X
 | | Solution Structure of apo-IscU(WT) | | Descriptor: | Iron-sulfur cluster assembly scaffold protein | | Authors: | Kim, J.H, Tonelli, M, Markley, J.L. | | Deposit date: | 2010-10-19 | | Release date: | 2011-12-07 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Three-Dimensional Structure and Determinants of Stability of the Iron-Sulfur Cluster Scaffold Protein IscU from Escherichia coli.
Biochemistry, 51, 2012
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2LE4
 | | Solution structure of the HMG box DNA-binding domain of human stem cell transcription factor Sox2 | | Descriptor: | Transcription factor SOX-2 | | Authors: | Sahu, S.C, Markley, J.L, Tonelli, M, Bahrami, A, Eghbalnia, H.R, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2011-06-06 | | Release date: | 2011-07-27 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the HMG box DNA-binding domain of human stem cell transcription factor Sox2
To be Published
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2L9Q
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2M5T
 | | Solution structure of the 2A proteinase from a common cold agent, human rhinovirus RV-C02, strain W12 | | Descriptor: | ZINC ION, human rhinovirus 2A proteinase | | Authors: | Lee, W, Frederick, R, Tonelli, M, Troupis, A.T, Reinin, N, Suchy, F.P, Moyer, K, Watters, K, Aceti, D, Palmenberg, A.C, Markley, J.L. | | Deposit date: | 2013-03-07 | | Release date: | 2014-03-19 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the 2A Protease from a Common Cold Agent, Human Rhinovirus C2, Strain W12.
Plos One, 9, 2014
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2LY6
 | | Refined solution structure of recombinant brazzein at low temperature | | Descriptor: | Defensin-like protein | | Authors: | Cornilescu, C.C, Cornilescu, G, Tonelli, M, Markley, J.L, Assadi-Porter, F.M. | | Deposit date: | 2012-09-12 | | Release date: | 2012-10-17 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Temperature-dependent conformational change affecting Tyr11 and sweetness loops of brazzein.
Proteins, 81, 2013
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2LY5
 | | Refined solution structure of recombinant brazzein | | Descriptor: | Defensin-like protein | | Authors: | Cornilescu, C.C, Cornilescu, G, Tonelli, M, Markley, J.L, Assadi-Porter, F.M. | | Deposit date: | 2012-09-12 | | Release date: | 2013-01-30 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Temperature-dependent conformational change affecting Tyr11 and sweetness loops of brazzein.
Proteins, 81, 2013
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2N69
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2N66
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2L94
 | | Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication | | Descriptor: | N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium, RNA_(45-MER) | | Authors: | Marcheschi, R.J, Tonelli, M, Kumar, A, Butcher, S.E. | | Deposit date: | 2011-01-29 | | Release date: | 2011-06-15 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure of the HIV-1 Frameshift Site RNA Bound to a Small Molecule Inhibitor of Viral Replication.
Acs Chem.Biol., 6, 2011
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2KQK
 | | Solution structure of apo-IscU(D39A) | | Descriptor: | NifU-like protein | | Authors: | Kim, J.H, Fuzery, A.K, Tonelli, M, Vickery, L.E, Markley, J.L. | | Deposit date: | 2009-11-10 | | Release date: | 2010-11-17 | | Last modified: | 2021-10-13 | | Method: | SOLUTION NMR | | Cite: | Three-Dimensional Structure and Determinants of Stability of the Iron-Sulfur Cluster Scaffold Protein IscU from Escherichia coli.
Biochemistry, 51, 2012
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2KSI
 | | Solution NMR structure of Sterol Carrier Protein - 2 from Aedes aegypti (AeSCP-2) complex with C16 fatty acid (palmitate) | | Descriptor: | PALMITIC ACID, Sterol carrier protein 2 | | Authors: | Singarapu, K, Radek, J.T, Tonelli, M, Lan, Q, Markley, J.L. | | Deposit date: | 2010-01-04 | | Release date: | 2010-03-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of Sterol Carrier Protein - 2 from Aedes aegypti (AeSCP-2) complex with C16 fatty acid (palmitate)
To be Published
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2KSH
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7M98
 | | ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) ligand | | Descriptor: | ATPase family AAA domain-containing protein 2, Histone H4 | | Authors: | Malone, K.L, Phillips, M, Nix, J.C, Glass, K.C. | | Deposit date: | 2021-03-30 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Coordination of Di-Acetylated Histone Ligands by the ATAD2 Bromodomain.
Int J Mol Sci, 22, 2021
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8OF2
 | | Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tassone, G, Landi, G, Mangani, S, Pozzi, C. | | Deposit date: | 2023-03-13 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents.
Eur.J.Med.Chem., 264, 2023
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7THM
 | | SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9 | | Descriptor: | MANGANESE (II) ION, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Osinski, A, Tagliabracci, V.S, Chen, Z, Li, Y. | | Deposit date: | 2022-01-11 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | The mechanism of RNA capping by SARS-CoV-2.
Nature, 609, 2022
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6VEO
 | | ATAD2B bromodomain in complex with 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione (compound 38) | | Descriptor: | 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione, ATPase family AAA domain-containing protein 2B, SULFATE ION | | Authors: | Glass, K.C. | | Deposit date: | 2020-01-02 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights into the Recognition of Mono- and Diacetylated Histones by the ATAD2B Bromodomain.
J.Med.Chem., 63, 2020
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2WC2
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3FSM
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7MKT
 | | Crystal structure of r(GU)11G-NMM complex | | Descriptor: | N-METHYLMESOPORPHYRIN, POTASSIUM ION, RNA (5'-R(*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*G)-3') | | Authors: | Bingman, C.A, Roschdi, S, Nomura, Y, Butcher, S.E. | | Deposit date: | 2021-04-26 | | Release date: | 2022-11-02 | | Last modified: | 2023-02-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | An atypical RNA quadruplex marks RNAs as vectors for gene silencing.
Nat.Struct.Mol.Biol., 29, 2022
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4IBG
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ... | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.413 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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4IBB
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-12-08 | | Release date: | 2014-02-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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4IBC
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.745 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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