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4EUG
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BU of 4eug by Molmil
Crystallographic and Enzymatic Studies of an Active Site Variant H187Q of Escherichia Coli Uracil DNA Glycosylase: Crystal Structures of Mutant H187Q and its Uracil Complex
分子名称: PROTEIN (GLYCOSYLASE)
著者Xiao, G, Tordova, M, Drohat, A.C, Jagadeesh, J, Stivers, J.T, Gilliland, G.L.
登録日1998-12-27
公開日1999-07-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Heteronuclear NMR and crystallographic studies of wild-type and H187Q Escherichia coli uracil DNA glycosylase: electrophilic catalysis of uracil expulsion by a neutral histidine 187.
Biochemistry, 38, 1999
2HXM
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BU of 2hxm by Molmil
Complex of UNG2 and a small Molecule synthetic Inhibitor
分子名称: 4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID, Uracil-DNA glycosylase
著者Bianchet, M.A, Krosky, D.J, Ghung, S, Seiple, L, Amzel, L.M, Stivers, J.T.
登録日2006-08-03
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Mimicking damaged DNA with a small molecule inhibitor of human UNG2.
Nucleic Acids Res., 34, 2006
8GB2
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BU of 8gb2 by Molmil
Crystal structure of Apo-SAMHD1
分子名称: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION
著者Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T.
登録日2023-02-24
公開日2023-06-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding.
Acs Chem.Biol., 18, 2023
8GB1
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BU of 8gb1 by Molmil
Crystal structure of SAMHD1 dimer bound to deoxyguanosine linked inhibitor
分子名称: 5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION
著者Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T.
登録日2023-02-24
公開日2023-06-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding.
Acs Chem.Biol., 18, 2023
3FCK
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BU of 3fck by Molmil
Complex of UNG2 and a fragment-based design inhibitor
分子名称: 3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid, Uracil-DNA glycosylase
著者Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T.
登録日2008-11-21
公開日2009-04-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
3FCI
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BU of 3fci by Molmil
Complex of UNG2 and a fragment-based designed inhibitor
分子名称: 3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid, SODIUM ION, THIOCYANATE ION, ...
著者Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T.
登録日2008-11-21
公開日2009-04-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
3FCF
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BU of 3fcf by Molmil
Complex of UNG2 and a fragment-based designed inhibitor
分子名称: 3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid, THIOCYANATE ION, Uracil-DNA glycosylase
著者Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T.
登録日2008-11-21
公開日2009-04-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
3FCL
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BU of 3fcl by Molmil
Complex of UNG2 and a fragment-based designed inhibitor
分子名称: 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid, THIOCYANATE ION, Uracil-DNA glycosylase
著者Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T.
登録日2008-11-21
公開日2009-04-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
1FLZ
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BU of 1flz by Molmil
URACIL DNA GLYCOSYLASE WITH UAAP
分子名称: URACIL, URACIL-DNA GLYCOSYLASE
著者Werner, R.M, Jiang, Y.L, Gordley, R.G, Jagadeesh, G.J, Ladner, J.E, Xiao, G, Tordova, M, Gilliland, G.L, Stivers, J.T.
登録日2000-08-15
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Stressing-out DNA? The contribution of serine-phosphodiester interactions in catalysis by uracil DNA glycosylase.
Biochemistry, 39, 2000
1LMZ
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BU of 1lmz by Molmil
Solution Structure of 3-Methyladenine DNA Glycosylase I (TAG)
分子名称: 3-methyladenine DNA glycosylase I (TAG)
著者Drohat, A.C, Kwon, K, Krosky, D.J, Stivers, J.T.
登録日2002-05-02
公開日2002-08-28
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献3-Methyladenine DNA glycosylase I is an unexpected helix-hairpin-helix superfamily member.
Nat.Struct.Biol., 9, 2002
2EUG
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BU of 2eug by Molmil
CRYSTAL STRUCTURE OF ESCHERICHIA COLI URACIL DNA GLYCOSYLASE AND ITS COMPLEXES WITH URACIL AND GLYCEROL: STRUCTURE AND GLYCOSYLASE MECHANISM REVISITED
分子名称: PROTEIN (GLYCOSYLASE), URACIL
著者Xiao, G, Tordova, M, Jagadeesh, J, Drohat, A.C, Stivers, J.T, Gilliland, G.L.
登録日1998-10-13
公開日1999-10-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Escherichia coli uracil DNA glycosylase and its complexes with uracil and glycerol: structure and glycosylase mechanism revisited.
Proteins, 35, 1999
1EUG
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BU of 1eug by Molmil
CRYSTAL STRUCTURE OF ESCHERICHIA COLI URACIL DNA GLYCOSYLASE AND ITS COMPLEXES WITH URACIL AND GLYCEROL: STRUCTURE AND GLYCOSYLASE MECHANISM REVISITED
分子名称: PROTEIN (GLYCOSYLASE)
著者Xiao, G, Tordova, M, Jagadeesh, J, Drohat, A.C, Stivers, J.T, Gilliland, G.L.
登録日1998-10-12
公開日1999-10-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Escherichia coli uracil DNA glycosylase and its complexes with uracil and glycerol: structure and glycosylase mechanism revisited.
Proteins, 35, 1999
2OXM
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BU of 2oxm by Molmil
Crystal structure of a UNG2/modified DNA complex that represent a stabilized short-lived extrahelical state in ezymatic DNA base flipping
分子名称: DNA (5'-D(*AP*AP*AP*GP*AP*TP*(4MF)P*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*AP*TP*CP*TP*T)-3'), Uracil-DNA glycosylase
著者Bianchet, M.A, Krosky, D.J, Stivers, J.T, Amzel, L.M.
登録日2007-02-20
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enzymatic capture of an extrahelical thymine in the search for uracil in DNA.
Nature, 449, 2007
2OYT
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BU of 2oyt by Molmil
Crystal Structure of UNG2/DNA(TM)
分子名称: DNA strand1, DNA strand2, Uracil-DNA glycosylase
著者Bianchet, M.A, Krosky, D.J, Stivers, J.T, Amzel, L.M.
登録日2007-02-22
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enzymatic capture of an extrahelical thymine in the search for uracil in DNA.
Nature, 449, 2007
1NKU
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BU of 1nku by Molmil
NMR Solution Structure of Zinc-binding protein 3-methyladenine DNA glycosylase I (TAG)
分子名称: 3-Methyladenine Dna Glycosylase I (TAG), ZINC ION
著者Kwon, K, Cao, C, Stivers, J.T.
登録日2003-01-03
公開日2003-06-03
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献A Novel Zinc Snap Motif Conveys Structural Stability to 3-Methyladenine DNA Glycosylase I
J.Biol.Chem., 278, 2003
1P7M
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BU of 1p7m by Molmil
SOLUTION STRUCTURE AND BASE PERTURBATION STUDIES REVEAL A NOVEL MODE OF ALKYLATED BASE RECOGNITION BY 3-METHYLADENINE DNA GLYCOSYLASE I
分子名称: 3-METHYL-3H-PURIN-6-YLAMINE, DNA-3-methyladenine glycosylase I, ZINC ION
著者Cao, C, Kwon, K, Jiang, Y.L, Drohat, A.C, Stivers, J.T.
登録日2003-05-02
公開日2003-11-25
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure and base perturbation studies reveal a novel mode of alkylated base recognition by 3-methyladenine DNA glycosylase I
J.Biol.Chem., 278, 2003
1Q3F
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BU of 1q3f by Molmil
Uracil DNA glycosylase bound to a cationic 1-aza-2'-deoxyribose-containing DNA
分子名称: 5'-D(*AP*AP*AP*GP*AP*TP*AP*AP*CP*A)-3', 5'-D(*TP*GP*TP*(NRI)P*AP*TP*CP*TP*T)-3', PHOSPHATE ION, ...
著者Bianchet, M.A, Seiple, L.A, Jiang, Y.L, Ichikawa, Y, Amzel, L.M, Stivers, J.T.
登録日2003-07-29
公開日2004-03-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Electrostatic guidance of glycosyl cation migration along the reaction coordinate of uracil DNA glycosylase.
Biochemistry, 42, 2003
5EUG
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BU of 5eug by Molmil
CRYSTALLOGRAPHIC AND ENZYMATIC STUDIES OF AN ACTIVE SITE VARIANT H187Q OF ESCHERICHIA COLI URACIL DNA GLYCOSYLASE: CRYSTAL STRUCTURES OF MUTANT H187Q AND ITS URACIL COMPLEX
分子名称: PROTEIN (GLYCOSYLASE), URACIL
著者Xiao, G, Tordova, M, Drohat, A.C, Jagadeesh, J, Stivers, J.T, Gilliland, G.L.
登録日1998-12-27
公開日1999-07-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Escherichia coli uracil DNA glycosylase and its complexes with uracil and glycerol: structure and glycosylase mechanism revisited.
Proteins, 35, 1999
3EUG
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BU of 3eug by Molmil
CRYSTAL STRUCTURE OF ESCHERICHIA COLI URACIL DNA GLYCOSYLASE AND ITS COMPLEXES WITH URACIL AND GLYCEROL: STRUCTURE AND GLYCOSYLASE MECHANISM REVISITED
分子名称: GLYCEROL, PROTEIN (GLYCOSYLASE)
著者Xiao, G, Tordova, M, Jagadeesh, J, Drohat, A.C, Stivers, J.T, Gilliland, G.L.
登録日1998-10-13
公開日1999-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal structure of Escherichia coli uracil DNA glycosylase and its complexes with uracil and glycerol: structure and glycosylase mechanism revisited.
Proteins, 35, 1999
7UJN
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BU of 7ujn by Molmil
Structure of Human SAMHD1 with Non-Hydrolysable dGTP Analog
分子名称: 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1
著者Huynh, K.W, Ammirati, M, Han, S.
登録日2022-03-31
公開日2022-07-20
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Phosphorylation of SAMHD1 Thr592 increases C-terminal domain dynamics, tetramer dissociation and ssDNA binding kinetics.
Nucleic Acids Res., 50, 2022
8TDW
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BU of 8tdw by Molmil
ssRNA bound SAMHD1 T open
分子名称: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, RNA (5'-R(P*CP*CP*GP*AP*CP*C)-3'), ...
著者Sung, M, Huynh, K, Han, S.
登録日2023-07-05
公開日2023-11-22
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Guanine-containing ssDNA and RNA induce dimeric and tetrameric structural forms of SAMHD1.
Nucleic Acids Res., 51, 2023
8TDV
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BU of 8tdv by Molmil
ssRNA bound SAMHD1 T closed
分子名称: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, RNA (5'-R(P*CP*CP*GP*AP*CP*CP*C)-3'), ...
著者Sung, M, Huynh, K, Han, S.
登録日2023-07-05
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Guanine-containing ssDNA and RNA induce dimeric and tetrameric structural forms of SAMHD1.
Nucleic Acids Res., 51, 2023

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