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8CKH
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BU of 8ckh by Molmil
Crystal structure of IspE from Klebsiella pneumoniae
Descriptor: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Hamid, R.
Deposit date:2023-02-15
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of IspE from Klebsiella pneumoniae
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8A29
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BU of 8a29 by Molmil
Apo 1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, CALCIUM ION, CHLORIDE ION, ...
Authors:Hamid, R, Adam, S, Lacour, A, Monjas, L, Hirsch, A.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:1-deoxy-D-xylulose-5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding.
J.Biol.Chem., 299, 2023
8A4D
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BU of 8a4d by Molmil
1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa with a thiamine analog inhibitor
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol, CALCIUM ION, ...
Authors:Hamid, R, Hirsch, A.
Deposit date:2022-06-10
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:1-deoxy-D-xylulose-5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding.
J.Biol.Chem., 299, 2023
8A45
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BU of 8a45 by Molmil
Structural analysis of 1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa with 2-acetyl thiamine diphosphate
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, 2-ACETYL-THIAMINE DIPHOSPHATE, CALCIUM ION, ...
Authors:Hamid, R, Hirsch, A.
Deposit date:2022-06-10
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:1-deoxy-D-xylulose-5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding.
J.Biol.Chem., 299, 2023
8A5K
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BU of 8a5k by Molmil
Structural analysis of 1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, CALCIUM ION, GLYCEROL, ...
Authors:Hamid, R, Hirsch, A.
Deposit date:2022-06-15
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:1-deoxy-D-xylulose-5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding.
J.Biol.Chem., 299, 2023
8BZX
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BU of 8bzx by Molmil
1-deoxy-D-xylulose 5-phosphate synthase from Klebsiella pneumoniae (kpDXPS),co-crystal with thiamine monophosphate analog
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, 2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-5-propanoyl-thiophen-2-yl]ethyl dihydrogen phosphate, MAGNESIUM ION
Authors:Hamid, R.
Deposit date:2022-12-15
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design of thiamine analogues for inhibition of thiamine diphosphate (ThDP)-dependent enzymes: Systematic investigation through Scaffold-Hopping and C2-Functionalisation.
Bioorg.Chem., 138, 2023
3SFK
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BU of 3sfk by Molmil
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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PDB entries from 2024-08-07

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