4BTE
 
 | | DJ-1 Cu(I) complex | | Descriptor: | COPPER (I) ION, PROTEIN DJ-1 | | Authors: | Puno, M.R.A, Odell, M, Moody, P.C.E. | | Deposit date: | 2013-06-14 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structure of Cu(I)-Bound Dj-1 Reveals a Biscysteinate Metal Binding Site at the Homodimer Interface: Insights Into Mutational Inactivation of Dj-1 in Parkinsonism.
J.Am.Chem.Soc., 135, 2013
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4BQM
 | | Crystal structure of human liver-type glutaminase, catalytic domain | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLUTAMINASE LIVER ISOFORM, ... | | Authors: | Ferreira, I.M, Vollmar, M, Krojer, T, Strain-Damerell, C, Froese, S, Coutandin, D, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Dias, S.M.G, Ambrosio, A.L.B, Yue, W.W. | | Deposit date: | 2013-05-31 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal Structure of Human Liver-Type Glutaminase, Catalytic Domain
To be Published
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4BUD
 | | Crystal structure of human tankyrase 2 in complex with 2-(4-tert- butylphenyl)-1,4-dihydroquinazolin-4-one | | Descriptor: | 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-20 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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4BVS
 | | Cyanuric acid hydrolase: evolutionary innovation by structural concatenation. | | Descriptor: | 1,3,5-triazine-2,4,6-triamine, CYANURIC ACID AMIDOHYDROLASE, MAGNESIUM ION | | Authors: | Peat, T.S, Balotra, S, Wilding, M, French, N.G, Briggs, L.J, Panjikar, S, Cowieson, N, Newman, J, Scott, C. | | Deposit date: | 2013-06-28 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Cyanuric Acid Hydrolase: Evolutionary Innovation by Structural Concatenation.
Mol.Microbiol., 88, 2013
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4BWA
 | | PylRS Y306G, Y384F, I405R mutant in complex with adenylated norbornene | | Descriptor: | 1,2-ETHANEDIOL, Adenylated Norbornene, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Schneider, S, Vrabel, M, Gattner, M.J, Fluegel, V, Lopez-Carillo, V, Carell, T. | | Deposit date: | 2013-07-01 | | Release date: | 2013-07-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural Insights Into Incorporation of Norbornene Amino Acids for Click Modification of Proteins
Chem.Bio.Chem., 14, 2013
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4BWP
 | | Structure of Drosophila Melanogaster PAN3 pseudokinase | | Descriptor: | AMP PHOSPHORAMIDATE, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN-3 | | Authors: | Christie, M, Boland, A, Huntzinger, E, Weichenrieder, O, Izaurralde, E. | | Deposit date: | 2013-07-03 | | Release date: | 2013-08-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure of the Pan3 Pseudokinase Reveals the Basis for Interactions with the Pan2 Deadenylase and the Gw182 Proteins
Mol.Cell, 51, 2013
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4BWX
 | | Structure of Neurospora crassa PAN3 pseudokinase mutant | | Descriptor: | MAGNESIUM ION, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN-3, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Christie, M, Boland, A, Huntzinger, E, Weichenrieder, O, Izaurralde, E. | | Deposit date: | 2013-07-04 | | Release date: | 2013-08-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure of the Pan3 Pseudokinase Reveals the Basis for Interactions with the Pan2 Deadenylase and the Gw182 Proteins
Mol.Cell, 51, 2013
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2MW3
 | | Solution NMR structure of the lasso peptide streptomonomicin | | Descriptor: | Lasso peptide | | Authors: | Tietz, J.I, Zhu, L, Mitchell, D.A, Metelev, M, Melby, J.O, Blair, P.M, Livnat, I, Severinov, K. | | Deposit date: | 2014-10-24 | | Release date: | 2015-01-28 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure, bioactivity, and resistance mechanism of streptomonomicin, an unusual lasso Peptide from an understudied halophilic actinomycete.
Chem.Biol., 22, 2015
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4BY1
 | | elongating RNA Polymerase II-Bye1 TLD complex soaked with AMPCPP | | Descriptor: | 5'-D(*AP*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP*GP*CP*TP)-3', 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP*CP*TP*TP*AP *TP*TP*CP*CP*BRUP*GP*GP*TP*CP*AP*AP*T)-3', 5'-R(*UP*UP*CP*GP*AP*CP*CP*AP*GP*GP*AP)-3', ... | | Authors: | Kinkelin, K, Wozniak, G.G, Rothbart, S.B, Lidschreiber, M, Strahl, B.D, Cramer, P. | | Deposit date: | 2013-07-17 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structures of RNA Polymerase II Complexes with Bye1, a Chromatin-Binding Phf3/Dido1 Homologue
Proc.Natl.Acad.Sci.USA, 110, 2013
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2N0E
 | | NMR structure of Neuromedin C in 40% TFE | | Descriptor: | Neuromedin C (NMC) | | Authors: | Adrover, M, Sanchis, P, Vilanova, B, Pauwels, K, Martorell, G, Perez, J. | | Deposit date: | 2015-03-05 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism.
RSC ADV, 5, 2015
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2MZX
 | | CCR5-ECL2 helical structure, residues Q186-T195 | | Descriptor: | C-C chemokine receptor type 5 | | Authors: | Abayev, M, Anglister, J. | | Deposit date: | 2015-02-26 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | An extended CCR5 ECL2 peptide forms a helix that binds HIV-1 gp120 through non-specific hydrophobic interactions.
Febs J., 282, 2015
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5OOO
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2MQP
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4C4U
 | | Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12Q mutant in the reduced form | | Descriptor: | FE (II) ION, SUPEROXIDE REDUCTASE | | Authors: | Bandeiras, T.M, Rodrigues, J.V, Sousa, C.M, Barradas, A.R, Pinho, F.G, Pinto, A.F, Teixeira, M, Matias, P.M, Romao, C.V. | | Deposit date: | 2013-09-09 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.583 Å) | | Cite: | Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure
To be Published
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2MSF
 | | NMR SOLUTION STRUCTURE OF SCORPION VENOM TOXIN Ts11 (TsPep1) FROM Tityus serrulatus | | Descriptor: | Peptide TsPep1 | | Authors: | Maiti, M, Lescrinier, E, Herdewijn, P, Cremonez, C.M, Peigneur, S, Cassoli, J.S, Dutra, A.A.A, Waelkens, E, Pimenta, A.M.C, De Lima, M.H, Tytgat, J, Arantes, E.C. | | Deposit date: | 2014-08-01 | | Release date: | 2015-08-26 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structural and Functional Elucidation of Peptide Ts11 Shows Evidence of a Novel Subfamily of Scorpion Venom Toxins.
Toxins (Basel), 8, 2016
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2N5G
 | | NMR structure of KorA, a plasmid-encoded, global transcription regulator KorA | | Descriptor: | TrfB transcriptional repressor protein | | Authors: | Rajasekar, K.V, Lovering, A.L, Dancea, F.V, Scott, D.J, Harris, S, Bingle, L.E, Roessle, M, Thomas, C.M, Hyde, E.I, White, S.A. | | Deposit date: | 2015-07-17 | | Release date: | 2016-07-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator.
Nucleic Acids Res., 44, 2016
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4C9J
 | | Structure of yeast mitochondrial ADP/ATP carrier isoform 3 inhibited by carboxyatractyloside (P212121 crystal form) | | Descriptor: | ADP, ATP CARRIER PROTEIN 3, CARDIOLIPIN, ... | | Authors: | Ruprecht, J.J, Hellawell, A.M, Harding, M, Crichton, P.G, McCoy, A.J, Kunji, E.R.S. | | Deposit date: | 2013-10-02 | | Release date: | 2014-01-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.397 Å) | | Cite: | Structures of Yeast Mitochondrial Adp/ATP Carriers Support a Domain-Based Alternating-Access Transport Mechanism
Proc.Natl.Acad.Sci.USA, 111, 2014
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4C9H
 | | Structure of yeast mitochondrial ADP/ATP carrier isoform 2 inhibited by carboxyatractyloside (P212121 crystal form) | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, ADP, ATP CARRIER PROTEIN 2, ... | | Authors: | Ruprecht, J.J, Hellawell, A.M, Harding, M, Crichton, P.G, McCoy, A.J, Kunji, E.R.S. | | Deposit date: | 2013-10-02 | | Release date: | 2014-01-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of Yeast Mitochondrial Adp/ATP Carriers Support a Domain-Based Alternating-Access Transport Mechanism
Proc.Natl.Acad.Sci.USA, 111, 2014
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2N0D
 | | NMR structure of Neuromedin C in 25% TFE | | Descriptor: | Neuromedin C (NMC) | | Authors: | Adrover, M, Sanchis, P, Vilanova, B, Pauwels, K, Martorell, G, Perez, J. | | Deposit date: | 2015-03-05 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism.
RSC ADV, 5, 2015
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2N1M
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4FR4
 | | Crystal structure of human serine/threonine-protein kinase 32A (YANK1) | | Descriptor: | 1,2-ETHANEDIOL, STAUROSPORINE, Serine/threonine-protein kinase 32A | | Authors: | Chaikuad, A, Elkins, J.M, Krojer, T, Mahajan, P, Goubin, S, Szklarz, M, Tumber, A, Wang, J, Savitsky, P, Shrestha, B, Daga, N, Picaud, S, Fedorov, O, Allerston, C.K, Latwiel, S.V.A, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-06-26 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
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2MT4
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1KR7
 | | Crystal structure of the nerve tissue mini-hemoglobin from the nemertean worm Cerebratulus lacteus | | Descriptor: | ACETATE ION, Neural globin, OXYGEN MOLECULE, ... | | Authors: | Pesce, A, Nardini, M, Dewilde, S, Geuens, E, Yamauchi, k, Ascenzi, P, Riggs, A.F, Moens, L, Bolognesi, M. | | Deposit date: | 2002-01-09 | | Release date: | 2002-05-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The 109 residue nerve tissue minihemoglobin from Cerebratulus lacteus highlights striking structural plasticity of the alpha-helical globin fold
Structure, 10, 2002
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4BUI
 | | Crystal structure of human tankyrase 2 in complex with methyl 4-(4- oxo-3,4-dihydroquinazolin-2-yl)benzoate | | Descriptor: | GLYCEROL, METHYL 4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BENZOATE, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-20 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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4BUX
 | | Crystal structure of human tankyrase 2 in complex with 3-((4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenyl)methyl)imidazolidine-2,4-dione | | Descriptor: | 3-[[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-24 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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