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7KYV
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BU of 7kyv by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM634 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(4-(trifluoromethyl)benzyl)-1H-pyrrole-2-carboxamide)
分子名称: 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Phillips, M, Tomchick, D.
登録日2020-12-08
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
7KZY
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BU of 7kzy by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM778 (3-methyl-N-(1-(5-methyl-1H-pyrazol-3-yl)ethyl)-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide)
分子名称: 3-methyl-N-[(1R)-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Phillips, M, Tomchick, D.
登録日2020-12-10
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
7L01
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BU of 7l01 by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM782 (N-(1-(5-cyano-1H-pyrazol-3-yl)ethyl)-3-methyl-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide)
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Phillips, M, Tomchick, D.
登録日2020-12-10
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
7KYY
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BU of 7kyy by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM697 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(6-(trifluoromethyl)-1H-indol-3-yl)-1H-pyrrole-2-carboxamide)
分子名称: 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Phillips, M, Tomchick, D.
登録日2020-12-09
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
1LDM
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BU of 1ldm by Molmil
Refined crystal structure of dogfish M4 apo-lactate dehydrogenase
分子名称: M4 LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID
著者Griffith, J.P, Rossmann, M.G.
登録日1987-11-25
公開日1989-07-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987
4ORI
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BU of 4ori by Molmil
Rat dihydroorotate dehydrogenase bound with DSM338 (N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine)
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Phillips, M.A.
登録日2014-02-11
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Fluorine Modulates Species Selectivity in the Triazolopyrimidine Class of Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors.
J.Med.Chem., 57, 2014
4ORM
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BU of 4orm by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM338 (N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine)
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Phillips, M.A.
登録日2014-02-11
公開日2014-06-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Fluorine Modulates Species Selectivity in the Triazolopyrimidine Class of Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors.
J.Med.Chem., 57, 2014
4OQV
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BU of 4oqv by Molmil
High resolution crystal structure of human dihydroorotate dehydrogenase bound with DSM338 (N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine)
分子名称: ACETIC ACID, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Phillips, M.A.
登録日2014-02-10
公開日2014-06-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Fluorine Modulates Species Selectivity in the Triazolopyrimidine Class of Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors.
J.Med.Chem., 57, 2014
9B42
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BU of 9b42 by Molmil
Pseudomonas phage Pa193 neck and extended tail (collar, gateway, tail tube, and sheath proteins)
分子名称: gp29 Collar, gp30 Gateway, gp32 Sheath, ...
著者Iglesias, S.M, Cingolani, G.
登録日2024-03-20
公開日2024-10-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM analysis of Pseudomonas phage Pa193 structural components.
Commun Biol, 7, 2024
9B41
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BU of 9b41 by Molmil
Pseudomonas phage Pa193 Neck (portal and head-to-tail proteins)
分子名称: gp19 Portal, gp28 Head-to-tail protein
著者Iglesias, S.M, Cingolani, G.
登録日2024-03-20
公開日2024-10-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM analysis of Pseudomonas phage Pa193 structural components.
Commun Biol, 7, 2024
9B45
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BU of 9b45 by Molmil
Pseudomonas phage Pa193 baseplate complex and tail fiber
分子名称: gp34 helical bundle, gp35 Sheath initiator, gp37 Baseplate tube, ...
著者Iglesias, S.M, Cingolani, G.
登録日2024-03-20
公開日2024-10-16
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM analysis of Pseudomonas phage Pa193 structural components.
Commun Biol, 7, 2024
9B40
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BU of 9b40 by Molmil
Pseudomonas phage Pa193 5-fold vertex (capsid, decorating, and scaffolding proteins)
分子名称: gp24 Scaffolding protein, gp25 Decorating protein, gp26 Major capsid
著者Iglesias, S.M, Cingolani, G.
登録日2024-03-20
公開日2024-10-16
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM analysis of Pseudomonas phage Pa193 structural components.
Commun Biol, 7, 2024
4UNU
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BU of 4unu by Molmil
MCG - a dimer of lambda variable domains
分子名称: IG LAMBDA CHAIN V-II REGION MGC, POLYETHYLENE GLYCOL (N=34), SULFATE ION
著者Brumshtein, B, Esswein, S.R, Landau, M, Ryan, C, Whitelegge, J, Casio, D, Sawaya, M.R, Eisenberg, D.S.
登録日2014-05-30
公開日2014-08-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains.
J.Biol.Chem., 289, 2014
4UNV
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BU of 4unv by Molmil
Covalent dimer of lambda variable domains
分子名称: IG LAMBDA CHAIN V-II REGION MGC, SULFATE ION
著者Brumshtein, B, Esswein, S, Landau, M, Ryan, C, Whitelegge, J, Sawaya, M, Eisenberg, D.S.
登録日2014-05-30
公開日2014-08-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains.
J.Biol.Chem., 289, 2014
4RIL
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BU of 4ril by Molmil
Structure of the amyloid forming segment, GAVVTGVTAVA, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 68-78, determined by electron diffraction
分子名称: Alpha-synuclein
著者Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
登録日2014-10-06
公開日2015-08-26
最終更新日2023-09-20
実験手法ELECTRON CRYSTALLOGRAPHY (1.43 Å)
主引用文献Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
4RIK
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BU of 4rik by Molmil
Amyloid forming segment, AVVTGVTAV, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 69-77
分子名称: Alpha-synuclein
著者Guenther, E.L, Sawaya, M.R, Ivanova, M, Eisenberg, D.S.
登録日2014-10-06
公開日2015-08-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
9FDG
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BU of 9fdg by Molmil
Solution structure of a de novo designed 12-stranded transmembrane beta-barrel in LDAO micelles.
分子名称: TMB12sol9_3
著者Muentener, T, Hiller, S.
登録日2024-05-17
公開日2024-10-16
実験手法SOLUTION NMR
主引用文献Sculpting conducting nanopore size and shape through de novo protein design.
Science, 385, 2024
4XFO
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BU of 4xfo by Molmil
Structure of an amyloid-forming segment TAVVTN from human Transthyretin
分子名称: Amyloid-forming peptide TAVVTN
著者Saelices, L, Sawaya, M, Cascio, D, Eisenberg, D.S.
登録日2014-12-27
公開日2015-10-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4XFN
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BU of 4xfn by Molmil
Structure of an Amyloid forming peptide AEVVFT from Human Transthyretin
分子名称: Amyloid forming peptide AEVVFT
著者Saelices, L, Sawaya, M, Cascio, D, Eisenberg, D.S.
登録日2014-12-27
公開日2015-10-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4TL5
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BU of 4tl5 by Molmil
Crystal Structure of Human Transthyretin Ser85Pro Mutant
分子名称: CHLORIDE ION, SODIUM ION, Transthyretin
著者Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
登録日2014-05-28
公開日2015-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4TKW
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BU of 4tkw by Molmil
Crystal Structure of Human Transthyretin Leu55Pro Mutant
分子名称: Transthyretin
著者Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
登録日2014-05-27
公開日2015-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4TL4
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BU of 4tl4 by Molmil
Crystal Structure of Human Transthyretin Val30Met Mutant
分子名称: Transthyretin
著者Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
登録日2014-05-28
公開日2015-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4TNE
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BU of 4tne by Molmil
Crystal Structure of Human Transthyretin Thr119Tyr Mutant
分子名称: GLYCEROL, Transthyretin
著者Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
登録日2014-06-03
公開日2015-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4ZNN
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BU of 4znn by Molmil
MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56
分子名称: Alpha-synuclein
著者Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
登録日2015-05-05
公開日2015-09-09
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1.41 Å)
主引用文献Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
4TLS
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BU of 4tls by Molmil
Crystal Structure of Human Transthyretin Glu92Pro Mutant
分子名称: GLYCEROL, PHOSPHATE ION, SODIUM ION, ...
著者Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
登録日2014-05-30
公開日2015-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015

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