4U2B
 
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4U2E
 | | Crystal structure of dienelactone hydrolase S-3 variant (Q35H, F38L, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G, G211D and K234N) at 1.70 A resolution | | Descriptor: | Carboxymethylenebutenolidase, SULFATE ION | | Authors: | Porter, J.L, Collyer, C.A, Ollis, D.L. | | Deposit date: | 2014-07-16 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
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4U2F
 | | Crystal structure of dienelactone hydrolase B-1 variant (Q35H, F38L, Y64H, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G and G211D) at 1.80 A resolution | | Descriptor: | Carboxymethylenebutenolidase, SULFATE ION | | Authors: | Porter, J.L, Collyer, C.A, Ollis, D.L. | | Deposit date: | 2014-07-16 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
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4U2C
 | | Crystal structure of dienelactone hydrolase A-6 variant (S7T, A24V, Q35H, F38L, Q110L, C123S, Y145C, E199G and S208G) at 1.95 A resolution | | Descriptor: | Carboxymethylenebutenolidase, SULFATE ION | | Authors: | Porter, J.L, Collyer, C.A, Ollis, D.L. | | Deposit date: | 2014-07-16 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
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4U2D
 | | Crystal structure of dienelactone hydrolase S-2 variant (Q35H, F38L, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G and G211D) at 1.67 A resolution | | Descriptor: | Carboxymethylenebutenolidase, SULFATE ION | | Authors: | Porter, J.L, Collyer, C.A, Ollis, D.L. | | Deposit date: | 2014-07-16 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
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4U2G
 | | Crystal structure of dienelactone hydrolase B-4 variant (Q35H, F38L, Y64H, Q76L, Q110L, C123S, Y137C, A141V, Y145C, N154D, E199G, S208G, G211D, S233G and 237Q) at 1.80 A resolution | | Descriptor: | Carboxymethylenebutenolidase, SULFATE ION | | Authors: | Porter, J.L, Collyer, C.A, Ollis, D.L. | | Deposit date: | 2014-07-16 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
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4UEU
 | | Tyrosine kinase AS - a common ancestor of Src and Abl | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TYROSINE KINASE AS - A COMMON ANCESTOR OF SRC AND ABL | | Authors: | Kutter, S, Wilson, C, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Halpin, J.C, Theobald, D.L, Kern, D. | | Deposit date: | 2014-12-18 | | Release date: | 2015-02-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
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4UUP
 | | Reconstructed ancestral trichomonad malate dehydrogenase in complex with NADH, SO4, and PO4 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MALATE DEHYDROGENASE, PHOSPHATE ION, ... | | Authors: | Steindel, P.A, Chen, E.H, Theobald, D.L. | | Deposit date: | 2014-07-29 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.543 Å) | | Cite: | Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases.
Protein Sci., 25, 2016
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6RJ0
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6RTM
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 2 hour of soaking | | Descriptor: | 1-methylidenenaphthalen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ... | | Authors: | Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. | | Deposit date: | 2019-05-24 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ectopic suicide inhibition of thioredoxin glutathione reductase.
Free Radic Biol Med, 147, 2020
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6RTO
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 4 hours of soaking | | Descriptor: | 1-methylidenenaphthalen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... | | Authors: | Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. | | Deposit date: | 2019-05-24 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ectopic suicide inhibition of thioredoxin glutathione reductase.
Free Radic Biol Med, 147, 2020
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6RTJ
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 1 hour of soaking | | Descriptor: | 1-[(dimethylamino)methyl]naphthalen-2-ol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. | | Deposit date: | 2019-05-24 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ectopic suicide inhibition of thioredoxin glutathione reductase.
Free Radic Biol Med, 147, 2020
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6S6L
 | | Cryo-EM structure of murine norovirus (MNV-1) | | Descriptor: | Capsid protein | | Authors: | Snowden, J.S, Hurdiss, D.L, Adeyemi, O.O, Ranson, N.A, Herod, M.R, Stonehouse, N.J. | | Deposit date: | 2019-07-03 | | Release date: | 2020-05-13 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Dynamics in the murine norovirus capsid revealed by high-resolution cryo-EM.
Plos Biol., 18, 2020
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1BMP
 | | BONE MORPHOGENETIC PROTEIN-7 | | Descriptor: | BONE MORPHOGENETIC PROTEIN-7 | | Authors: | Griffith, D.L, Scott, D.L. | | Deposit date: | 1995-12-14 | | Release date: | 1997-07-23 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Three-dimensional structure of recombinant human osteogenic protein 1: structural paradigm for the transforming growth factor beta superfamily.
Proc.Natl.Acad.Sci.USA, 93, 1996
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6WEQ
 | | DENV1 NS1 in complex with neutralizing 2B7 Fab fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab fragment heavy chain, 2B7 Fab fragment light chain, ... | | Authors: | Akey, D.L, Smith, J.L. | | Deposit date: | 2020-04-02 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
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7MJS
 | | Single-Particle Cryo-EM Structure of Major Facilitator Superfamily Domain containing 2A in complex with LPC-18:3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2AG3 Fab heavy chain, 2AG3 Fab light chain, ... | | Authors: | Cater, R.J, Chua, G.L, Erramilli, S.K, Keener, J.E, Choy, B.C, Tokarz, P, Chin, C.F, Quek, D.Q.Y, Kloss, B, Pepe, J.G, Parisi, G, Wong, B.H, Clarke, O.B, Marty, M.T, Kossiakoff, A.A, Khelashvili, G, Silver, D.L, Mancia, F. | | Deposit date: | 2021-04-20 | | Release date: | 2021-06-16 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Structural basis of omega-3 fatty acid transport across the blood-brain barrier.
Nature, 595, 2021
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7MQP
 | | E. coli dihydrofolate reductase complexed with 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228) | | Descriptor: | 3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-4'-methyl[1,1'-biphenyl]-4-carboxamide, Dihydrofolate reductase, SULFATE ION | | Authors: | Lombardo, M.N, Wright, D.L. | | Deposit date: | 2021-05-06 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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7NPX
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-Methoxyquinoxalin-2-yl)propanoic acid at 24 hours of soaking | | Descriptor: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | Deposit date: | 2021-02-28 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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5KZL
 | | Structure of Heme Oxygenase from Leptospira interrogans | | Descriptor: | Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Klinke, S, Soldano, A, Otero, L.H, Rivera, M, Catalano-Dupuy, D.L, Ceccarelli, E.A. | | Deposit date: | 2016-07-25 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural and mutational analyses of the Leptospira interrogans virulence-related heme oxygenase provide insights into its catalytic mechanism.
PLoS ONE, 12, 2017
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5MCS
 | | Solution structure and dynamics of the outer membrane cytochrome OmcF from Geobacter sulfurreducens | | Descriptor: | HEME C, Lipoprotein cytochrome c, 1 heme-binding site | | Authors: | Dantas, J.M, Silva, M.A, Morgado, L, Pantoja-Uceda, D, Turner, D.L, Bruix, M, Salgueiro, C.A. | | Deposit date: | 2016-11-10 | | Release date: | 2017-04-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of the outer membrane cytochrome OmcF from Geobacter sulfurreducens.
Biochim. Biophys. Acta, 1858, 2017
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5MRW
 | | Structure of the KdpFABC complex | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ... | | Authors: | Huang, C, Pedersen, B.P, Stokes, D.L. | | Deposit date: | 2016-12-27 | | Release date: | 2017-06-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the potassium-importing KdpFABC membrane complex.
Nature, 546, 2017
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5NFU
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LHSpTA peptide | | Descriptor: | Ac-LEU-HIS-SER-(TPO)-ALA, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-03-16 | | Release date: | 2018-05-16 | | Last modified: | 2023-03-08 | | Method: | X-RAY DIFFRACTION (1.809 Å) | | Cite: | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation.
Sci Rep, 9, 2019
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5NJE
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with Alpha-Bromo-3-Iodotoluene. | | Descriptor: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-03-28 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation.
Sci Rep, 9, 2019
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5NN1
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5NMM
 | | The structure of the polo-box domain (PBD) of Plk1 in complex with Alpha-Bromo-3-Iodotoluene. | | Descriptor: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-04-06 | | Release date: | 2018-02-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation.
Sci Rep, 9, 2019
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