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PDB: 60 件

4RX0
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BU of 4rx0 by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265
分子名称: 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, ...
著者Deng, X, Phillips, M, Tomchick, D.
登録日2014-12-08
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
6VTY
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BU of 6vty by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM483
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Phillips, M.
登録日2020-02-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020
5D1Z
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BU of 5d1z by Molmil
IsdB NEAT1 bound by clone D4-10
分子名称: D4-10 Heavy Chain, D4-10 Light Chain, Iron-regulated surface determinant protein B, ...
著者Deng, X.
登録日2015-08-04
公開日2016-09-14
最終更新日2016-12-07
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire.
Nat Commun, 7, 2016
5D1Q
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BU of 5d1q by Molmil
IsdB NEAT2 bound by clone D2-06
分子名称: D2-06 Heavy Chain, D2-06 Light Chain, Iron-regulated surface determinant protein B, ...
著者Deng, X.
登録日2015-08-04
公開日2016-08-10
最終更新日2016-12-07
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire.
Nat Commun, 7, 2016
4IGH
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BU of 4igh by Molmil
High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog
分子名称: 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid, Dihydroorotate dehydrogenase (quinone), ...
著者Deng, X, Das, P, Fontoura, B.M.A, Phillips, M.A, De Brabander, J.K.
登録日2012-12-17
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献SAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity.
ACS MED.CHEM.LETT., 4, 2013
5O09
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BtubABC mini microtubule
分子名称: Bacterial kinesin light chain, GUANOSINE-5'-DIPHOSPHATE, Tubulin, ...
著者Deng, X, Bharat, T.A.M, Lowe, J.
登録日2017-05-16
公開日2017-07-19
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Four-stranded mini microtubules formed by Prosthecobacter BtubAB show dynamic instability.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6RIB
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BU of 6rib by Molmil
Cryo-EM reconstruction of Thermus thermophilus bactofilin double helical filaments
分子名称: bactofilin
著者Deng, X, Lowe, J.
登録日2019-04-23
公開日2019-07-17
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The structure of bactofilin filaments reveals their mode of membrane binding and lack of polarity.
Nat Microbiol, 4, 2019
2PI2
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BU of 2pi2 by Molmil
Full-length Replication protein A subunits RPA14 and RPA32
分子名称: 1,4-DIETHYLENE DIOXIDE, Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit
著者Deng, X, Borgstahl, G.E.
登録日2007-04-12
公開日2007-10-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
2PQA
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BU of 2pqa by Molmil
Crystal Structure of Full-length Human RPA 14/32 Heterodimer
分子名称: Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit
著者Deng, X, Borgstahl, G.E.
登録日2007-05-01
公開日2007-11-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
3O8A
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BU of 3o8a by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with novel Inhibitor Genz667348
分子名称: Dihydroorotate dehydrogenase homolog, mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Booker, M.L, Phillips, M.A.
登録日2010-08-02
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with anti-malarial activity in the mouse model.
J.Biol.Chem., 285, 2010
5TBO
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Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421
分子名称: 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, ...
著者Deng, X, Phillips, M.
登録日2016-09-12
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria.
ACS Infect Dis, 2, 2016
2Z6K
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BU of 2z6k by Molmil
Crystal structure of full-length human RPA14/32 heterodimer
分子名称: Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit
著者Deng, X, Habel, J.E, Kabaleeswaran, V, Borgstahl, G.E.
登録日2007-08-03
公開日2007-12-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
3S84
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BU of 3s84 by Molmil
Dimeric apoA-IV
分子名称: Apolipoprotein A-IV, SULFATE ION
著者Deng, X, Davidson, W.S, Thompson, T.B.
登録日2011-05-27
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Structure of Dimeric Apolipoprotein A-IV and Its Mechanism of Self-Association.
Structure, 20, 2012
3SFK
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BU of 3sfk by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM267
分子名称: 2-(1,1-difluoroethyl)-5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Phillips, M.
登録日2011-06-13
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-Guided Lead Optimization of Triazolopyrimidine-Ring Substituents Identifies Potent Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors with Clinical Candidate Potential.
J.Med.Chem., 54, 2011
6VTN
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BU of 6vtn by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM557
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Phillips, M.
登録日2020-02-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020
4JPH
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BU of 4jph by Molmil
Crystal structure of Protein Related to DAN and Cerberus (PRDC)
分子名称: CITRIC ACID, GLUTATHIONE, GLYCEROL, ...
著者Deng, X, Nolan, K.T, Kattamuri, C, Thompson, T.B.
登録日2013-03-19
公開日2013-07-24
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of protein related to dan and cerberus: insights into the mechanism of bone morphogenetic protein antagonism.
Structure, 21, 2013
3I6R
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BU of 3i6r by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74
分子名称: 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase homolog, mitochondrial, ...
著者Deng, X, Phillips, M.A.
登録日2009-07-07
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural plasticity of malaria dihydroorotate dehydrogenase allows selective binding of diverse chemical scaffolds.
J.Biol.Chem., 284, 2009
3I68
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BU of 3i68 by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM2
分子名称: Dihydroorotate dehydrogenase homolog, mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Phillips, M.A.
登録日2009-07-06
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural plasticity of malaria dihydroorotate dehydrogenase allows selective binding of diverse chemical scaffolds.
J.Biol.Chem., 284, 2009
3I65
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BU of 3i65 by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM1
分子名称: 5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium, Dihydroorotate dehydrogenase homolog, mitochondrial, ...
著者Deng, X, Phillips, M.A.
登録日2009-07-06
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural plasticity of malaria dihydroorotate dehydrogenase allows selective binding of diverse chemical scaffolds.
J.Biol.Chem., 284, 2009
5DV0
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BU of 5dv0 by Molmil
Structure of S. pneumoniae D39 sortase A
分子名称: Sortase SrtA
著者Deng, X.
登録日2015-09-21
公開日2016-10-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.299 Å)
主引用文献Structure of S. pneumoniae D39 Sortase A
To Be Published
5FI8
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BU of 5fi8 by Molmil
Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with DSM422 (Tetrahydro-2-naphthyl and 2-indanyl triazolopyrimidine)
分子名称: 2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Kokkonda, S, Tomchick, D, Phillips, M.
登録日2015-12-22
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity.
J.Med.Chem., 59, 2016
3N29
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Crystal structure of carboxynorspermidine decarboxylase complexed with Norspermidine from Campylobacter jejuni
分子名称: Carboxynorspermidine decarboxylase, GLYCEROL, N-(3-aminopropyl)propane-1,3-diamine, ...
著者Deng, X, Lee, J, Michael, A.J, Tomchick, D.R, Goldsmith, E.J, Phillips, M.A.
登録日2010-05-17
公開日2010-06-09
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
3N2O
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BU of 3n2o by Molmil
X-ray crystal structure of arginine decarboxylase complexed with Arginine from Vibrio vulnificus
分子名称: AGMATINE, Biosynthetic arginine decarboxylase, PYRIDOXAL-5'-PHOSPHATE
著者Deng, X, Lee, J, Michael, A.J, Tomchick, D.R, Goldsmith, E.J, Phillips, M.A.
登録日2010-05-18
公開日2010-06-09
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
5D1X
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BU of 5d1x by Molmil
IsdB NEAT2 bound by D4-30
分子名称: D4-30 Heavy Chain, D4-30 Light Chain, Iron-regulated surface determinant protein B, ...
著者Deng, X.
登録日2015-08-04
公開日2016-08-10
最終更新日2016-12-07
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire.
Nat Commun, 7, 2016
4Q2V
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BU of 4q2v by Molmil
Crystal Structure of Ricin A chain complexed with Baicalin inhibitor
分子名称: 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Ricin
著者Deng, X, Li, X, Dong, J, Chen, Y.
登録日2014-04-10
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Baicalin inhibits the lethality of ricin in mice by inducing protein oligomerization.
J.Biol.Chem., 290, 2015

 

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