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4GTC
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BU of 4gtc by Molmil
T. Maritima FDTS (E144R mutant) plus FAD
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX
著者Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A.
登録日2012-08-28
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
7JX1
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BU of 7jx1 by Molmil
E. coli TSase complex with a bi-substrate reaction intermediate analog
分子名称: (2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid, PHOSPHATE ION, ...
著者Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A.
登録日2020-08-26
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
7JXF
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BU of 7jxf by Molmil
E. coli TSase complex with a bi-substrate reaction intermediate diastereomer analog
分子名称: (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE, N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid, ...
著者Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A, Moliner, V, Swiderek, K.
登録日2020-08-27
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
3G4A
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BU of 3g4a by Molmil
Crystal structure of flavine dependant thymidylate synthase S88A mutant from Thermotoga maritima at 1.95 angstrom resolution
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX
著者Mathews, I.I, Lesley, S.A, Kohen, A.
登録日2009-02-03
公開日2009-04-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An unusual mechanism of thymidylate biosynthesis in organisms containing the thyX gene.
Nature, 458, 2009
3G4C
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BU of 3g4c by Molmil
Flavine dependant thymidylate syntahse S88C mutant
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX
著者Mathews, I.I, Lesley, S.A, Kohen, A.
登録日2009-02-03
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献An unusual mechanism of thymidylate biosynthesis in organisms containing the thyX gene.
Nature, 458, 2009
6D4B
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BU of 6d4b by Molmil
Crystal structure of Candida boidinii formate dehydrogenase V123A mutant complexed with NAD+ and azide
分子名称: AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ...
著者Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A.
登録日2018-04-17
公開日2019-04-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase
Acs Catalysis, 2019
5DNA
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BU of 5dna by Molmil
Crystal structure of Candida boidinii formate dehydrogenase
分子名称: FORMATE DEHYDROGENASE, SULFATE ION
著者Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A.
登録日2015-09-09
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii.
Biochemistry, 55, 2016
5DN9
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BU of 5dn9 by Molmil
Crystal structure of Candida boidinii formate dehydrogenase complexed with NAD+ and azide
分子名称: AZIDE ION, CHLORIDE ION, FDH, ...
著者Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A.
登録日2015-09-09
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii.
Biochemistry, 55, 2016
6D4C
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BU of 6d4c by Molmil
Crystal structure of Candida boidinii formate dehydrogenase V123G mutant complexed with NAD+ and azide
分子名称: AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ...
著者Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A.
登録日2018-04-17
公開日2019-04-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase
Acs Catalysis, 2019
4QLF
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BU of 4qlf by Molmil
Crystal structure of I14G DHFR mutant complexed with folate and NADP+
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Stojkovic, V, Gakhar, L, Kohen, A.
登録日2014-06-12
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Free energy simulations of active-site mutants of dihydrofolate reductase.
J.Phys.Chem.B, 119, 2015
4QLE
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BU of 4qle by Molmil
Crystal structure of I14A DHFR mutant complexed with folate and NADP+
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Stojkovic, V, Gakhar, L, Kohen, A.
登録日2014-06-12
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Free energy simulations of active-site mutants of dihydrofolate reductase.
J.Phys.Chem.B, 119, 2015
4QLG
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BU of 4qlg by Molmil
Crystal structure of I14V DHFR mutant complexed with folate and NADP+
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Stojkovic, V, Gakhar, L, Kohen, A.
登録日2014-06-12
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Free energy simulations of active-site mutants of dihydrofolate reductase.
J.Phys.Chem.B, 119, 2015
4GTE
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BU of 4gte by Molmil
T. Maritima FDTS (E144R mutant) with FAD and Folate
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid, Thymidylate synthase thyX
著者Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A.
登録日2012-08-28
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GTD
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BU of 4gtd by Molmil
T. Maritima FDTS (E144R mutant) with FAD and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX
著者Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A.
登録日2012-08-28
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GT9
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BU of 4gt9 by Molmil
T. Maritima FDTS with FAD, dUMP and Folate.
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Mathews, I.I, Lesley, S.A, Kohen, A.
登録日2012-08-28
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GTB
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BU of 4gtb by Molmil
T. Maritima FDTS with FAD, dUMP, and Raltitrexed.
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Mathews, I.I, Lesley, S.A, Kohen, A.
登録日2012-08-28
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GTL
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BU of 4gtl by Molmil
T. Maritima FDTS (R174K mutant) with FAD
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX
著者Mathews, I.I, Lesley, S.A, Kohen, A.
登録日2012-08-28
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GTA
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BU of 4gta by Molmil
T. Maritima FDTS with FAD, dUMP, and Folinic Acid
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Mathews, I.I, Lesley, S.A, Kohen, A.
登録日2012-08-28
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GTF
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BU of 4gtf by Molmil
T. Maritima FDTS (H53A mutant) with FAD, dUMP and Folate
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Mathews, I.I, Lesley, S.A, Kohen, A.
登録日2012-08-28
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
6NNR
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BU of 6nnr by Molmil
high-resolution structure of wild-type E. coli thymidylate synthase
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Stroud, R.M, Finer-Moore, J.
登録日2019-01-15
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Mg2+ binds to the surface of thymidylate synthase and affects hydride transfer at the interior active site.
J. Am. Chem. Soc., 135, 2013
4GEV
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BU of 4gev by Molmil
E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, Thymidylate synthase
著者Newby, Z, Lee, T.T, Finer-Moore, J, Stroud, R.M.
登録日2012-08-02
公開日2012-08-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A remote mutation affects the hydride transfer by disrupting concerted protein motions in thymidylate synthase.
J.Am.Chem.Soc., 134, 2012

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