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6L0B
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BU of 6l0b by Molmil
Crystal structure of dihydroorotase in complex with fluorouracil from Saccharomyces cerevisiae
分子名称: 5-FLUOROURACIL, Dihydroorotase, ZINC ION
著者Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
登録日2019-09-26
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
6L0G
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BU of 6l0g by Molmil
Crystal structure of dihydroorotase in complex with malate at pH6 from Saccharomyces cerevisiae
分子名称: (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION
著者Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
登録日2019-09-26
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
6ORA
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BU of 6ora by Molmil
An Unexpected Intermediate in the Reaction Catalyzed by Quinolinate Synthase
分子名称: (2~{Z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid, 2-hydroxy-N-[(1S)-1-hydroxy-3-oxopropyl]-L-aspartic acid, ACETATE ION, ...
著者Esakova, O.A, Grove, T.L, Silakov, A, Yennawar, N.H, Booker, S.J.
登録日2019-04-29
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
3ZZM
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BU of 3zzm by Molmil
Crystal structure of Mycobacterium tuberculosis PurH with a novel bound nucleotide CFAIR, at 2.2 A resolution.
分子名称: 5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, GLYCEROL, ...
著者Le Nours, J, Bulloch, E.M.M, Zhang, Z, Greenwood, D.R, Middleditch, M.J, Dickson, J.M.J, Baker, E.N.
登録日2011-09-02
公開日2011-09-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Analyses of a Purine Biosynthetic Enzyme from Mycobacterium Tuberculosis Reveal a Novel Bound Nucleotide.
J.Biol.Chem., 286, 2011
8Y9B
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BU of 8y9b by Molmil
TcdB1 in complex with mini-binder
分子名称: De novo design mini-binder, Toxin B, ZINC ION
著者Lv, X.C, Lu, P.L.
登録日2024-02-06
公開日2024-08-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献TcdB1 in complex with mini-binder
To Be Published
2DGN
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BU of 2dgn by Molmil
Mouse Muscle Adenylosuccinate Synthetase partially ligated complex with GTP, 2'-deoxy-IMP
分子名称: 9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)-9H-PURINE, Adenylosuccinate synthetase isozyme 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Iancu, C.V, Zhou, Y, Borza, T, Fromm, H.J, Honzatko, R.B.
登録日2006-03-15
公開日2006-09-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cavitation as a mechanism of substrate discrimination by adenylosuccinate synthetases.
Biochemistry, 45, 2006
7DPT
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BU of 7dpt by Molmil
Structural basis for ligand binding modes of CTP synthase
分子名称: 6-DIAZENYL-5-OXO-L-NORLEUCINE, ADENOSINE-5'-DIPHOSPHATE, CTP synthase, ...
著者Liu, J.L, Zhou, X, Guo, C.J, Chang, C.C.
登録日2020-12-21
公開日2021-09-15
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Structural basis for ligand binding modes of CTP synthase.
Proc.Natl.Acad.Sci.USA, 118, 2021
2H31
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BU of 2h31 by Molmil
Crystal structure of human PAICS, a bifunctional carboxylase and synthetase in purine biosynthesis
分子名称: CARBON DIOXIDE, Multifunctional protein ADE2
著者Li, S.-X, Tong, Y.-P, Xie, X.-C, Li, S.-G, Bi, R.-C.
登録日2006-05-21
公開日2007-01-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Octameric structure of the human bifunctional enzyme PAICS in purine biosynthesis.
J.Mol.Biol., 366, 2007
5D2Y
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BU of 5d2y by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 7 Round 5
分子名称: De novo designed kemp eliminase KE07
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 7 Round 5
To Be Published
5D38
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BU of 5d38 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 17 round 7-2
分子名称: De novo kemp eliminase KE07 round 7-2
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.427 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 17 round 7-2
To Be Published
5D37
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BU of 5d37 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 16 round 7
分子名称: De novo kemp eliminase KE07 round 7
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 16 round 7
To Be Published
5D32
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BU of 5d32 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 11 round 6
分子名称: De novo kemp eliminase KE07 round 6
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 11 round 6
To Be Published
5D30
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BU of 5d30 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 9 Round 5
分子名称: De novo kemp eliminase KE07 round 5
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 9 Round 5
To Be Published
5D2V
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BU of 5d2v by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 4 Wild Type
分子名称: De novo designed kemp eliminase KE07
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type
To Be Published
5D33
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BU of 5d33 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 12 round 7
分子名称: de novo kemp eliminase KE07 round 7
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 12 round 7
To Be Published
6IDJ
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BU of 6idj by Molmil
Crystal structure of human DHODH in complex with ferulenol
分子名称: 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Shiba, T, Inaoka, D.K, Sato, D, Hartuti, E.D, Amalia, E, Nagahama, M, Yoshioka, Y, Matsubayashi, M, Balogun, E.O, Tsuji, N, Kita, K, Harada, S.
登録日2018-09-10
公開日2019-09-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target.
Genes (Basel), 11, 2020
1KUT
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BU of 1kut by Molmil
Structural Genomics, Protein TM1243, (SAICAR synthetase)
分子名称: Phosphoribosylaminoimidazole-succinocarboxamide synthase
著者Zhang, R, Skarina, T, Beasley, S, Edwards, A, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2002-01-22
公開日2002-08-14
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of SAICAR synthase from Thermotoga maritima at 2.2 angstroms reveals an unusual covalent dimer.
Acta Crystallogr.,Sect.F, 62, 2006
4Z08
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BU of 4z08 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 KE07 design
分子名称: de novo designed kemp eliminase KE07
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-03-25
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 KE07 design
To Be Published
2EG8
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BU of 2eg8 by Molmil
The crystal structure of E. coli dihydroorotase complexed with 5-fluoroorotic acid
分子名称: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, ZINC ION
著者Lee, M, Maher, M.J, Guss, J.M.
登録日2007-02-28
公開日2007-07-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of Ligand-free and Inhibitor Complexes of Dihydroorotase from Escherichia coli: Implications for Loop Movement in Inhibitor Design
J.Mol.Biol., 370, 2007
4X8I
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BU of 4x8i by Molmil
de novo crystal structure of the Pyrococcus Furiosus TET3 aminopeptidase
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, COBALT (II) ION, ...
著者Colombo, M.
登録日2014-12-10
公開日2016-02-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tuned by metals: the TET peptidase activity is controlled by 3 metal binding sites.
Sci Rep, 6, 2016
2HZ8
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BU of 2hz8 by Molmil
QM/MM structure refined from NMR-structure of a single chain diiron protein
分子名称: De novo designed diiron protein, ZINC ION
著者Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F.
登録日2006-08-08
公開日2007-07-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.
Structure, 16, 2008
6KJ7
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BU of 6kj7 by Molmil
E. coli ATCase catalytic subunit mutant - G166P
分子名称: Aspartate carbamoyltransferase catalytic subunit
著者Lei, Z, Zheng, J, Jia, Z.
登録日2019-07-21
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.839 Å)
主引用文献New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
6KJ8
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BU of 6kj8 by Molmil
E. coli ATCase holoenzyme mutant - G166P (catalytic chain)
分子名称: Aspartate carbamoyltransferase catalytic subunit, Aspartate carbamoyltransferase regulatory chain, ZINC ION
著者Lei, Z, Zheng, J, Jia, Z.C.
登録日2019-07-22
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.011 Å)
主引用文献New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
6KJA
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BU of 6kja by Molmil
E. coli ATCase holoenzyme mutant - G128/130A (catalytic chain)
分子名称: Aspartate carbamoyltransferase catalytic subunit, Aspartate carbamoyltransferase regulatory chain, ZINC ION
著者Lei, Z, Zheng, J, Jia, Z.C.
登録日2019-07-22
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.064 Å)
主引用文献New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
6KJ9
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BU of 6kj9 by Molmil
E. coli ATCase catalytic subunit mutant - G128/130A
分子名称: Aspartate carbamoyltransferase catalytic subunit
著者Lei, Z, Zheng, J, Jia, Z.C.
登録日2019-07-22
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020

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