6W2G
 
 | | Crystal Structure of Y188G Variant of the Internal UBA Domain of HHR23A in Monoclinic Unit Cell | | Descriptor: | 1,2-ETHANEDIOL, UV excision repair protein RAD23 homolog A | | Authors: | Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C. | | Deposit date: | 2020-03-05 | | Release date: | 2021-03-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.
J.Am.Chem.Soc., 145, 2023
|
|
6W2H
 | | Crystal Structure of the Internal UBA Domain of HHR23A | | Descriptor: | SULFATE ION, UV excision repair protein RAD23 homolog A | | Authors: | Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C. | | Deposit date: | 2020-03-05 | | Release date: | 2021-03-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Residual Structure in the Denatured State of the Fast-Folding UBA(1) Domain from the Human DNA Excision Repair Protein HHR23A.
Biochemistry, 61, 2022
|
|
6W2I
 | | Crystal Structure of Y188G Variant of the Internal UBA Domain of HHR23A | | Descriptor: | GLYCEROL, UV excision repair protein RAD23 homolog A | | Authors: | Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C. | | Deposit date: | 2020-03-05 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.
J.Am.Chem.Soc., 145, 2023
|
|
3JU9
 | | Crystal structure of a lectin from Canavalia brasiliensis seed (ConBr) complexed with alpha-aminobutyric acid | | Descriptor: | CALCIUM ION, CHLORIDE ION, Concanavalin-Br, ... | | Authors: | Bezerra, E.H.S, Rocha, B.A.M, Nagano, C.S, Bezerra, G.A, Moura, T.R, Bezerra, M.J.B, Benevides, R.G, Marinho, E.S, Delatorre, P, Cavada, B.S. | | Deposit date: | 2009-09-14 | | Release date: | 2010-12-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural analysis of ConBr reveals molecular correlation between the carbohydrate recognition domain and endothelial NO synthase activation.
Biochem.Biophys.Res.Commun., 408, 2011
|
|
3GGI
 | | Locating monovalent cations in one turn of G/C rich B-DNA | | Descriptor: | 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G) -3', MAGNESIUM ION, THALLIUM (I) ION | | Authors: | Maehigashi, T, Moulaei, T, Watkins, D, Komeda, S, Williams, L.D. | | Deposit date: | 2009-02-28 | | Release date: | 2010-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Locating monovalent cations in one turn of G/C rich B-DNA
To be Published
|
|
3GGK
 | | Locating monovalent cations in one turn of G/C rich B-DNA | | Descriptor: | 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G) -3', MAGNESIUM ION, RUBIDIUM ION | | Authors: | Maehigashi, T, Moulaei, T, Watkins, D, Komeda, S, Williams, L.D. | | Deposit date: | 2009-02-28 | | Release date: | 2010-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (0.87 Å) | | Cite: | Locating monovalent cations in one turn of G/C rich B-DNA
To be Published
|
|
5MLY
 | | Closed loop conformation of PhaZ7 Y105E mutant | | Descriptor: | PHB depolymerase PhaZ7 | | Authors: | Kellici, T, Mavromoustakos, T, Jendrossek, D, Papageorgiou, A.C. | | Deposit date: | 2016-12-08 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Crystal structure analysis, covalent docking, and molecular dynamics calculations reveal a conformational switch in PhaZ7 PHB depolymerase.
Proteins, 85, 2017
|
|
4RNS
 | | PcpR inducer binding domain (apo-form) | | Descriptor: | PCP degradation transcriptional activation protein | | Authors: | Hayes, R.P, Moural, T.W, Lewis, K.M, Onofrei, D, Xun, L, Kang, C. | | Deposit date: | 2014-10-25 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of the Inducer-Binding Domain of Pentachlorophenol-Degrading Gene Regulator PcpR from Sphingobium chlorophenolicum.
Int J Mol Sci, 15, 2014
|
|
4RPO
 | | PcpR inducer binding domain (Complex with 2,4,6-trichlorophenol) | | Descriptor: | 2,4,6-trichlorophenol, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Hayes, R.P, Moural, T.W, Lewis, K.M, Onofrei, D, Xun, L, Kang, C. | | Deposit date: | 2014-10-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the Inducer-Binding Domain of Pentachlorophenol-Degrading Gene Regulator PcpR from Sphingobium chlorophenolicum.
Int J Mol Sci, 15, 2014
|
|
3HIH
 | |
4RPN
 | | PcpR inducer binding domain complex with pentachlorophenol | | Descriptor: | PCP degradation transcriptional activation protein, PENTACHLOROPHENOL | | Authors: | Hayes, R.P, Moural, T.W, Lewis, K.M, Onofrei, D, Xun, L, Kang, C. | | Deposit date: | 2014-10-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.272 Å) | | Cite: | Structures of the Inducer-Binding Domain of Pentachlorophenol-Degrading Gene Regulator PcpR from Sphingobium chlorophenolicum.
Int J Mol Sci, 15, 2014
|
|
5MLX
 | | Open loop conformation of PhaZ7 Y105E mutant | | Descriptor: | CHLORIDE ION, PHB depolymerase PhaZ7, SODIUM ION | | Authors: | Kellici, T, Mavromoustakos, T, Jendrossek, D, Papageorgiou, A.C. | | Deposit date: | 2016-12-08 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure analysis, covalent docking, and molecular dynamics calculations reveal a conformational switch in PhaZ7 PHB depolymerase.
Proteins, 85, 2017
|
|
3HIK
 | | Structure of human Plk1-PBD in complex with PLHSpT | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Pentamer phosphopeptide, ... | | Authors: | Wlodawer, A, Moulaei, T. | | Deposit date: | 2009-05-20 | | Release date: | 2009-06-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1.
Nat.Struct.Mol.Biol., 16, 2009
|
|
4ZB4
 | | Spliceosome component | | Descriptor: | Pre-mRNA-processing factor 19 | | Authors: | Rocha de Moura, T, Pena, P. | | Deposit date: | 2015-04-14 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Spliceosome component
To Be Published
|
|
4K1Z
 | | Crystal structure of Canavalia boliviana lectin in complex with Man1-4Man-OMe | | Descriptor: | CADMIUM ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bezerra, G.A, Viertlmayr, R, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K. | | Deposit date: | 2013-04-07 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014
|
|
3U89
 | | Crystal structure of one turn of g/c rich b-dna revisited | | Descriptor: | 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G) -3', MAGNESIUM ION | | Authors: | Maehigashi, T, Woods, K.K, Moulaei, T, Komeda, S, Williams, L.D. | | Deposit date: | 2011-10-16 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | B-DNA structure is intrinsically polymorphic: even at the level of base pair positions.
Nucleic Acids Res., 40, 2012
|
|
4K1Y
 | | Crystal structure of Canavalia boliviana lectin in complex with Man1-3Man-OMe | | Descriptor: | CADMIUM ION, CALCIUM ION, Canavalia boliviana lectin, ... | | Authors: | Bezerra, G.A, Viertlmayr, R, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K. | | Deposit date: | 2013-04-07 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014
|
|
9G7C
 | | Cryo-EM structure of raiA ncRNA from Clostridium reveals a new RNA 3D fold | | Descriptor: | raiA (224-MER) | | Authors: | Badepally, N.G, Moura, T.R, Purta, E, Baulin, E, Bujnicki, J.M. | | Deposit date: | 2024-07-20 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Cryo-EM structure of raiA ncRNA from Clostridium reveals a new RNA 3D fold
J.Mol.Biol., 2024
|
|
2ZBJ
 | | Crystal structure of Dioclea rostrata lectin | | Descriptor: | CALCIUM ION, Lectin alpha chain, MANGANESE (II) ION, ... | | Authors: | de Oliveira, T.M, Delatorre, P, da Rocha, B.A.M, de Sousa, E.P, Nascimento, K.S, Bezerra, G.A, Moura, T.R, Benevides, R.G, Bezerra, E.H.S, Moreno, F.B.M.B, Freire, V.N, de Azevedo Jr, W.F, Cavada, B.S. | | Deposit date: | 2007-10-22 | | Release date: | 2008-08-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of Dioclea rostrata lectin: Insights into understanding the pH-dependent dimer-tetramer equilibrium and the structural basis for carbohydrate recognition in Diocleinae lectins
J.Struct.Biol., 164, 2008
|
|
4K20
 | | Crystal structure of Canavalia boliviana lectin | | Descriptor: | CALCIUM ION, Canavalia boliviana lectin, MANGANESE (II) ION | | Authors: | Viertlmayr, R, Bezerra, G.A, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K. | | Deposit date: | 2013-04-07 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014
|
|
5EG7
 | | The cap binding site of influenza virus protein PB2 as a drug target | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, Polymerase basic protein 2 | | Authors: | Severin, C, Rocha de Moura, T, Liu, Y, Li, K, Zheng, X, Luo, M. | | Deposit date: | 2015-10-26 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The cap-binding site of influenza virus protein PB2 as a drug target.
Acta Crystallogr D Struct Biol, 72, 2016
|
|
5EG8
 | | The cap binding site of influenza virus protein PB2 as a drug target | | Descriptor: | Polymerase basic protein 2, THIOCYANATE ION | | Authors: | Liu, Y, Zheng, X, Severin, C, Rocha de Moura, T, Li, K, Luo, M. | | Deposit date: | 2015-10-26 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | The cap-binding site of influenza virus protein PB2 as a drug target.
Acta Crystallogr D Struct Biol, 72, 2016
|
|
3U4X
 | | Crystal structure of a lectin from Camptosema pedicellatum seeds in complex with 5-bromo-4-chloro-3-indolyl-alpha-D-mannose | | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Camptosema pedicellatum lectin (CPL), ... | | Authors: | Rocha, B.A.M, Teixeira, C.S, Moura, T.R, Silva, H.C, Pereira-Junior, F.N, Nagano, C.S, Delatorre, P, Cavada, B.S. | | Deposit date: | 2011-10-10 | | Release date: | 2012-09-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal structure of the lectin of Camptosema pedicellatum: implications of a conservative substitution at the hydrophobic subsite.
J.Biochem., 152, 2012
|
|
5EG9
 | | The cap binding site of influenza virus protein PB2 as a drug target | | Descriptor: | Polymerase basic protein 2 | | Authors: | Severin, C, Rocha de Moura, T, Liu, Y, Li, K, Zheng, X, Luo, M. | | Deposit date: | 2015-10-26 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The cap-binding site of influenza virus protein PB2 as a drug target.
Acta Crystallogr D Struct Biol, 72, 2016
|
|
4K21
 | | Crystal structure of Canavalia boliviana lectin in complex with Xman | | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Canavalia boliviana lectin, ... | | Authors: | Bezerra, G.A, Moura, T.R, Viertlmayr, R, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S. | | Deposit date: | 2013-04-07 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014
|
|
