5O09
 
 | | BtubABC mini microtubule | | Descriptor: | Bacterial kinesin light chain, GUANOSINE-5'-DIPHOSPHATE, Tubulin, ... | | Authors: | Deng, X, Bharat, T.A.M, Lowe, J. | | Deposit date: | 2017-05-16 | | Release date: | 2017-07-19 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Four-stranded mini microtubules formed by Prosthecobacter BtubAB show dynamic instability.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TBO
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421 | | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Deng, X, Phillips, M. | | Deposit date: | 2016-09-12 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria.
ACS Infect Dis, 2, 2016
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6RIB
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2PI2
 | | Full-length Replication protein A subunits RPA14 and RPA32 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit | | Authors: | Deng, X, Borgstahl, G.E. | | Deposit date: | 2007-04-12 | | Release date: | 2007-10-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the Full-length Human RPA14/32 Complex Gives Insights into the Mechanism of DNA Binding and Complex Formation.
J.Mol.Biol., 374, 2007
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2PQA
 | | Crystal Structure of Full-length Human RPA 14/32 Heterodimer | | Descriptor: | Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit | | Authors: | Deng, X, Borgstahl, G.E. | | Deposit date: | 2007-05-01 | | Release date: | 2007-11-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the full-length human RPA14/32 complex gives insights into the mechanism of DNA binding and complex formation.
J.Mol.Biol., 374, 2007
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4RX0
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265 | | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Deng, X, Phillips, M, Tomchick, D. | | Deposit date: | 2014-12-08 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
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6LFB
 | | E. coli Thioesterase I mutant DG | | Descriptor: | Acyl-CoA thioesterase I also functions as protease I | | Authors: | Deng, X, Chen, L, Yang, G. | | Deposit date: | 2019-12-01 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure-guided reshaping of the acyl binding pocket of 'TesA thioesterase enhances octanoic acid production in E. coli.
Metab. Eng., 61, 2020
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6LFC
 | | E. coli Thioesterase I mutant DG | | Descriptor: | Acyl-CoA thioesterase I also functions as protease I | | Authors: | Deng, X, Chen, L, Yang, G. | | Deposit date: | 2019-12-01 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-guided reshaping of the acyl binding pocket of 'TesA thioesterase enhances octanoic acid production in E. coli.
Metab. Eng., 61, 2020
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3O8A
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with novel Inhibitor Genz667348 | | Descriptor: | Dihydroorotate dehydrogenase homolog, mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Deng, X, Booker, M.L, Phillips, M.A. | | Deposit date: | 2010-08-02 | | Release date: | 2010-08-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with anti-malarial activity in the mouse model.
J.Biol.Chem., 285, 2010
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2Z6K
 | | Crystal structure of full-length human RPA14/32 heterodimer | | Descriptor: | Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit | | Authors: | Deng, X, Habel, J.E, Kabaleeswaran, V, Borgstahl, G.E. | | Deposit date: | 2007-08-03 | | Release date: | 2007-12-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the Full-length Human RPA14/32 Complex Gives Insights into the Mechanism of DNA Binding and Complex Formation
J.Mol.Biol., 374, 2007
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3SFK
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM267 | | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Deng, X, Phillips, M. | | Deposit date: | 2011-06-13 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-Guided Lead Optimization of Triazolopyrimidine-Ring Substituents Identifies Potent Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors with Clinical Candidate Potential.
J.Med.Chem., 54, 2011
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3S84
 | | Dimeric apoA-IV | | Descriptor: | Apolipoprotein A-IV, SULFATE ION | | Authors: | Deng, X, Davidson, W.S, Thompson, T.B. | | Deposit date: | 2011-05-27 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Structure of Dimeric Apolipoprotein A-IV and Its Mechanism of Self-Association.
Structure, 20, 2012
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5D1X
 | | IsdB NEAT2 bound by D4-30 | | Descriptor: | D4-30 Heavy Chain, D4-30 Light Chain, Iron-regulated surface determinant protein B, ... | | Authors: | Deng, X. | | Deposit date: | 2015-08-04 | | Release date: | 2016-08-10 | | Last modified: | 2016-12-07 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire.
Nat Commun, 7, 2016
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5D1Q
 | | IsdB NEAT2 bound by clone D2-06 | | Descriptor: | D2-06 Heavy Chain, D2-06 Light Chain, Iron-regulated surface determinant protein B, ... | | Authors: | Deng, X. | | Deposit date: | 2015-08-04 | | Release date: | 2016-08-10 | | Last modified: | 2016-12-07 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire.
Nat Commun, 7, 2016
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5D1Z
 | | IsdB NEAT1 bound by clone D4-10 | | Descriptor: | D4-10 Heavy Chain, D4-10 Light Chain, Iron-regulated surface determinant protein B, ... | | Authors: | Deng, X. | | Deposit date: | 2015-08-04 | | Release date: | 2016-09-14 | | Last modified: | 2016-12-07 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire.
Nat Commun, 7, 2016
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3N29
 | | Crystal structure of carboxynorspermidine decarboxylase complexed with Norspermidine from Campylobacter jejuni | | Descriptor: | Carboxynorspermidine decarboxylase, GLYCEROL, N-(3-aminopropyl)propane-1,3-diamine, ... | | Authors: | Deng, X, Lee, J, Michael, A.J, Tomchick, D.R, Goldsmith, E.J, Phillips, M.A. | | Deposit date: | 2010-05-17 | | Release date: | 2010-06-09 | | Last modified: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evolution of substrate specificity within a diverse family of beta/alpha-barrel-fold basic amino acid decarboxylases: X-ray structure determination of enzymes with specificity for L-arginine and carboxynorspermidine.
J.Biol.Chem., 285, 2010
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3N2O
 | | X-ray crystal structure of arginine decarboxylase complexed with Arginine from Vibrio vulnificus | | Descriptor: | AGMATINE, Biosynthetic arginine decarboxylase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Deng, X, Lee, J, Michael, A.J, Tomchick, D.R, Goldsmith, E.J, Phillips, M.A. | | Deposit date: | 2010-05-18 | | Release date: | 2010-06-09 | | Last modified: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evolution of substrate specificity within a diverse family of beta/alpha-barrel-fold basic amino acid decarboxylases: X-ray structure determination of enzymes with specificity for L-arginine and carboxynorspermidine.
J.Biol.Chem., 285, 2010
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5DV0
 | | Structure of S. pneumoniae D39 sortase A | | Descriptor: | Sortase SrtA | | Authors: | Deng, X. | | Deposit date: | 2015-09-21 | | Release date: | 2016-10-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.299 Å) | | Cite: | Structure of S. pneumoniae D39 Sortase A
To Be Published
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7UT5
 | | Acinetobacter baumannii dihydroorotate dehydrogenase bound with inhibitor DSM186 | | Descriptor: | (4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ... | | Authors: | Deng, X, Phillips, M, Tomchick, D. | | Deposit date: | 2022-04-26 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Repurposed dihydroorotate dehydrogenase inhibitors with efficacy against drug-resistant Acinetobacter baumannii.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3I65
 | | Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM1 | | Descriptor: | 5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium, Dihydroorotate dehydrogenase homolog, mitochondrial, ... | | Authors: | Deng, X, Phillips, M.A. | | Deposit date: | 2009-07-06 | | Release date: | 2009-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural plasticity of malaria dihydroorotate dehydrogenase allows selective binding of diverse chemical scaffolds.
J.Biol.Chem., 284, 2009
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3I68
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3I6R
 | | Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74 | | Descriptor: | 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase homolog, mitochondrial, ... | | Authors: | Deng, X, Phillips, M.A. | | Deposit date: | 2009-07-07 | | Release date: | 2009-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural plasticity of malaria dihydroorotate dehydrogenase allows selective binding of diverse chemical scaffolds.
J.Biol.Chem., 284, 2009
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7KH2
 | | Structure of N-citrylornithine decarboxylase bound with PLP | | Descriptor: | GLYCEROL, N-citrylornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Deng, X, Tomchick, D, Phillips, M, Michael, A. | | Deposit date: | 2020-10-19 | | Release date: | 2020-12-16 | | Last modified: | 2021-07-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Alternative pathways utilize or circumvent putrescine for biosynthesis of putrescine-containing rhizoferrin.
J.Biol.Chem., 296, 2020
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7L0K
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM784 (3-(1-(3-methyl-4-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-pyrrole-2-carboxamido)ethyl)-1H-pyrazole-5-carboxamide) | | Descriptor: | 3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Deng, X, Phillips, M, Tomchick, D. | | Deposit date: | 2020-12-11 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
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7KYK
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM589 (ethyl 3-methyl-4-((4-(trifluoromethyl)benzo[d]oxazol-7-yl)methyl)-1H-pyrrole-2-carboxylate) | | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Deng, X, Phillips, M, Tomchick, D. | | Deposit date: | 2020-12-08 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
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