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4MA5
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BU of 4ma5 by Molmil
The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with an ATP analog, AMP-PNP.
分子名称: FORMIC ACID, GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-08-15
公開日2013-08-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.809 Å)
主引用文献The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with an ATP analog, AMP-PNP.
To be Published
4M9D
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BU of 4m9d by Molmil
The Crystal structure of an adenylosuccinate synthetase from Bacillus anthracis str. Ames Ancestor in complex with AMP.
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Adenylosuccinate synthetase, ...
著者Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-08-14
公開日2013-08-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.821 Å)
主引用文献The Crystal structure of an adenylosuccinate synthetase from Bacillus anthracis str. Ames Ancestor in complex with AMP.
To be Published
7BES
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BU of 7bes by Molmil
CryoEM structure of Mycobacterium tuberculosis UMP Kinase (UMPK) in complex with UDP and UTP
分子名称: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
著者Bous, J, Trapani, S, Walter, P, Bron, P, Munier-Lehmann, H.
登録日2020-12-24
公開日2022-01-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
5CLF
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BU of 5clf by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) from the acidophilic bacterium Acetobacter aceti, at pH 8.5
分子名称: 1,2-ETHANEDIOL, ACETATE ION, N5-carboxyaminoimidazole ribonucleotide mutase, ...
著者Starks, C.M, Kappock, T.J.
登録日2015-07-16
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a single tryptophan mutant of Acetobacter aceti PurE
To Be Published
4JDB
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BU of 4jdb by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-005
分子名称: 5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
著者Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
登録日2013-02-24
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-005
To be Published
7L0K
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BU of 7l0k by Molmil
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)
分子名称: 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, ...
著者Deng, X, Phillips, M, Tomchick, D.
登録日2020-12-11
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 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
7KYK
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BU of 7kyk by Molmil
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)
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
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 (2.15 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
7KZ4
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BU of 7kz4 by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM705 (N-(1-(1H-1,2,4-triazol-3-yl)ethyl)-3-methyl-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide)
分子名称: 3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-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2020-12-09
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
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
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
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
3AV3
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BU of 3av3 by Molmil
Crystal structure of glycinamide ribonucleotide transformylase 1 from Geobacillus kaustophilus
分子名称: MAGNESIUM ION, Phosphoribosylglycinamide formyltransferase
著者Kanagawa, M, Baba, S, Nakagawa, N, Ebihara, A, Kuramitsu, S, Yokoyama, S, Sampei, G, Kawai, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2011-02-18
公開日2012-03-07
最終更新日2014-01-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures and reaction mechanisms of the two related enzymes, PurN and PurU.
J.Biochem., 154, 2013
5CLI
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BU of 5cli by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) from the acidophilic bacterium Acetobacter aceti, complexed with AIR (5-aminoimidazole ribonucleotide)
分子名称: 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, N5-carboxyaminoimidazole ribonucleotide mutase
著者Starks, C.M, Kappock, T.J.
登録日2015-07-16
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Structure of a single tryptophan mutant of Acetobacter aceti PurE
To Be Published
5CLJ
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BU of 5clj by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59N from the acidophilic bacterium Acetobacter aceti, complexed with AIR (5-aminoimidazole ribonucleotide) and CO2
分子名称: 1,2-ETHANEDIOL, 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, CARBON DIOXIDE, ...
著者Starks, C.M, Kappock, T.J.
登録日2015-07-16
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of a single tryptophan mutant of Acetobacter aceti PurE
To Be Published
2R00
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BU of 2r00 by Molmil
crystal structure of aspartate semialdehyde dehydrogenase II complexed with ASA from vibrio cholerae
分子名称: 2,2'-oxydiacetic acid, Aspartate-semialdehyde dehydrogenase
著者Viola, R.E, Liu, X, Ohren, J.F, Faehnle, C.R.
登録日2007-08-17
公開日2008-04-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The structure of a redundant enzyme: a second isoform of aspartate beta-semialdehyde dehydrogenase in Vibrio cholerae.
Acta Crystallogr.,Sect.D, 64, 2008
3AUF
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BU of 3auf by Molmil
Crystal structure of glycinamide ribonucleotide transformylase 1 from Symbiobacterium toebii
分子名称: Glycinamide ribonucleotide transformylase 1
著者Kanagawa, M, Baba, S, Nagira, T, Kuramitsu, S, Yokoyama, S, Sampei, G, Kawai, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2011-02-03
公開日2012-03-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structures and reaction mechanisms of the two related enzymes, PurN and PurU.
J.Biochem., 154, 2013
2GYY
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BU of 2gyy by Molmil
Structure of aspartate semialdehyde dehydrogenase (ASADH) from Streptococcus pneumoniae
分子名称: Aspartate beta-semialdehyde dehydrogenase
著者Faehnle, C.R, Le Coq, J, Liu, X, Viola, R.E.
登録日2006-05-10
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Examination of key intermediates in the catalytic cycle of aspartate-beta-semialdehyde dehydrogenase from a gram-positive infectious bacteria.
J.Biol.Chem., 281, 2006
3AW8
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BU of 3aw8 by Molmil
Crystal structure of N5-carboxyaminoimidazole ribonucleotide synthetase from Thermus thermophilus HB8
分子名称: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Phosphoribosylaminoimidazole carboxylase, ...
著者Okada, K, Tsunoda, S, Taka, H, Baba, S, Kanagawa, M, Nakagawa, N, Ebihara, A, Kuramitsu, S, Yokoyama, S, Kawai, G, Sampei, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2011-03-15
公開日2012-04-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of N5-carboxyaminoimidazole ribonucleotide synthetase, PurK, from thermophilic bacteria
To be Published
2GZ1
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BU of 2gz1 by Molmil
Structure of Aspartate Semialdehyde Dehydrogenase (ASADH) from Streptococcus pneumoniae complexed with NADP
分子名称: Aspartate beta-semialdehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Faehnle, C.R, Le Coq, J, Liu, X, Viola, R.E.
登録日2006-05-10
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Examination of key intermediates in the catalytic cycle of aspartate-beta-semialdehyde dehydrogenase from a gram-positive infectious bacteria.
J.Biol.Chem., 281, 2006
2VHH
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BU of 2vhh by Molmil
Crystal structure of a pyrimidine degrading enzyme from Drosophila melanogaster
分子名称: CG3027-PA
著者Lundgren, S, Lohkamp, B, Andersen, B, Piskur, J, Dobritzsch, D.
登録日2007-11-21
公開日2008-03-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Crystal Structure of Beta-Alanine Synthase from Drosophila Melanogaster Reveals a Homooctameric Helical Turn-Like Assembly.
J.Mol.Biol., 377, 2008
2D0T
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BU of 2d0t by Molmil
Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase, ...
著者Sugimoto, H, Oda, S, Otsuki, T, Hino, T, Yoshida, T, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-08-08
公開日2006-01-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human indoleamine 2,3-dioxygenase: catalytic mechanism of O2 incorporation by a heme-containing dioxygenase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5CVT
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BU of 5cvt by Molmil
Structure of a single tryptophan mutant of Acetobacter aceti PurE containing 5-fluorotryptophan, pH 5.4
分子名称: 2,5,8,11-TETRAOXATRIDECANE, ACETATE ION, CITRIC ACID, ...
著者Sullivan, K.L, Kappock, T.J.
登録日2015-07-27
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure of a single tryptophan mutant of Acetobacter aceti PurE
To Be Published
2PPO
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BU of 2ppo by Molmil
Crystal structure of E60A mutant of FKBP12
分子名称: FK506-binding protein 1A
著者Szep, S, Park, S, VanDuyne, G.D, Saven, J.G.
登録日2007-04-30
公開日2008-05-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Structural coupling between FKBP12 and buried water.
Proteins, 74, 2009
5DEL
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BU of 5del by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM59
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Phillips, M, Deng, X.
登録日2015-08-25
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The X-ray structure of Plasmodium falciparum dihydroorotate dehydrogenase bound to a potent and selective N-phenylbenzamide inhibitor reveals novel binding-site interactions.
Acta Crystallogr.,Sect.F, 71, 2015

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