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1MEN
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BU of 1men by Molmil
complex structure of human GAR Tfase and substrate beta-GAR
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, Phosphoribosylglycinamide formyltransferase
著者Zhang, Y, Desharnais, J, Greasley, S.E, Beardsley, G.P, Boger, D.L, Wilson, I.A.
登録日2002-08-08
公開日2002-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal structures of human GAR Tfase of low and high pH and with substrate beta-GAR
Biochemistry, 41, 2002
1MEO
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BU of 1meo by Molmil
human glycinamide ribonucleotide Transformylase at pH 4.2
分子名称: PHOSPHATE ION, Phosphoribosylglycinamide formyltransferase, SULFATE ION
著者Zhang, Y, Desharnais, J, Greasley, S.E, Beardsley, G.P, Boger, D.L, Wilson, I.A.
登録日2002-08-08
公開日2002-12-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structures of human GAR Tfase of low and high pH and with substrate beta-GAR
Biochemistry, 41, 2002
1NJS
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BU of 1njs by Molmil
human GAR Tfase in complex with hydrolyzed form of 10-trifluoroacetyl-5,10-dideaza-acyclic-5,6,7,8-tetrahydrofolic acid
分子名称: N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID, PHOSPHATE ION, Phosphoribosylglycinamide formyltransferase
著者Zhang, Y, Desharnais, J, Marsilje, T.H, Li, C, Hedrick, M.P, Gooljarsingh, L.T, Tavassoli, A, Benkovic, S.J, Olson, A.J, Boger, D.L, Wilson, I.A.
登録日2003-01-02
公開日2003-06-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Rational Design, Synthesis, Evaluation, and Crystal Structure of a Potent Inhibitor of Human GAR Tfase: 10-(Trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic Acid
Biochemistry, 42, 2003
1RC0
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BU of 1rc0 by Molmil
Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid
分子名称: N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE
著者Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A.
登録日2003-11-03
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Human GAR Tfase complex structure
To be Published
1RBM
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BU of 1rbm by Molmil
Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid
分子名称: N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID, PHOSPHATE ION, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE
著者Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A.
登録日2003-11-03
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Human GAR Tfase complex structure
To be Published
1RBY
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BU of 1rby by Molmil
Human GAR Tfase complex structure with 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid and substrate beta-GAR
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE
著者Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A.
登録日2003-11-03
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Human GAR Tfase complex structure
To be Published
1RBQ
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BU of 1rbq by Molmil
Human GAR Tfase complex structure with 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid
分子名称: N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID, PHOSPHATE ION, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE
著者Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A.
登録日2003-11-03
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid
To be Published
1RC1
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BU of 1rc1 by Molmil
Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid
分子名称: N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID, PHOSPHATE ION, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE
著者Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A.
登録日2003-11-03
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Human GAR Tfase complex structure
To be Published
1RBZ
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BU of 1rbz by Molmil
Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid
分子名称: N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE
著者Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A.
登録日2003-11-03
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human GAR Tfase complex structure
To be Published
1DSM
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BU of 1dsm by Molmil
(-)-duocarmycin SA covalently linked to duplex DNA
分子名称: 4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, 5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3'
著者Smith, J.A, Case, D.A, Chazin, W.J.
登録日1999-03-27
公開日1999-04-02
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献The structural basis for in situ activation of DNA alkylation by duocarmycin SA
J.Mol.Biol., 300, 2000
1DSA
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BU of 1dsa by Molmil
(+)-DUOCARMYCIN SA COVALENTLY LINKED TO DUPLEX DNA, NMR, 20 STRUCTURES
分子名称: 4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3')
著者Eis, P.S, Smith, J.A, Case, D.A, Chazin, W.J.
登録日1997-05-08
公開日1997-08-20
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献High resolution solution structure of a DNA duplex alkylated by the antitumor agent duocarmycin SA.
J.Mol.Biol., 272, 1997
6NIG
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BU of 6nig by Molmil
Crystal structure of the human TLR2-Diprovocim complex
分子名称: (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de}, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, H, Beutler, B.A, Tomchick, D.R, Su, L.
登録日2018-12-27
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis of TLR2/TLR1 Activation by the Synthetic Agonist Diprovocim.
J. Med. Chem., 62, 2019
6NIH
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BU of 6nih by Molmil
Crystal structure of human TLR1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Su, L, Zhang, H.
登録日2018-12-27
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of TLR2/TLR1 Activation by the Synthetic Agonist Diprovocim.
J. Med. Chem., 62, 2019
7LXH
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Bacillus cereus DNA glycosylase AlkD bound to a CC1065-adenine nucleobase adduct and DNA containing an abasic site
分子名称: 7-{7-[(1R)-1-{[(4P)-6-amino-3H-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxamide, CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*AP*(ORP)P*GP*GP*C)-3'), ...
著者Mullins, E.A, Eichman, B.F.
登録日2021-03-03
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.667 Å)
主引用文献Structural evolution of a DNA repair self-resistance mechanism targeting genotoxic secondary metabolites.
Nat Commun, 12, 2021
7LXJ
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BU of 7lxj by Molmil
Bacillus cereus DNA glycosylase AlkD bound to a duocarmycin SA-adenine nucleobase adduct and DNA containing an abasic site
分子名称: CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*AP*(ORP)P*GP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*CP*TP*TP*TP*GP*C)-3'), ...
著者Mullins, E.A, Eichman, B.F.
登録日2021-03-03
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural evolution of a DNA repair self-resistance mechanism targeting genotoxic secondary metabolites.
Nat Commun, 12, 2021
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