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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
Descriptor: PROTEIN (GLYCOSYLASE)
Authors:Xiao, G, Tordova, M, Drohat, A.C, Jagadeesh, J, Stivers, J.T, Gilliland, G.L.
Deposit date:1998-12-27
Release date:1999-07-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 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
Authors:Bianchet, M.A, Krosky, D.J, Ghung, S, Seiple, L, Amzel, L.M, Stivers, J.T.
Deposit date:2006-08-03
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mimicking damaged DNA with a small molecule inhibitor of human UNG2.
Nucleic Acids Res., 34, 2006
3FCK
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BU of 3fck by Molmil
Complex of UNG2 and a fragment-based design inhibitor
Descriptor: 3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid, Uracil-DNA glycosylase
Authors:Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T.
Deposit date:2008-11-21
Release date:2009-04-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: 3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid, SODIUM ION, THIOCYANATE ION, ...
Authors:Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T.
Deposit date:2008-11-21
Release date:2009-04-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.27 Å)
Cite: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
Descriptor: 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
Authors:Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T.
Deposit date:2008-11-21
Release date:2009-04-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid, THIOCYANATE ION, Uracil-DNA glycosylase
Authors:Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T.
Deposit date:2008-11-21
Release date:2009-04-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: URACIL, URACIL-DNA GLYCOSYLASE
Authors: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.
Deposit date:2000-08-15
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Stressing-out DNA? The contribution of serine-phosphodiester interactions in catalysis by uracil DNA glycosylase.
Biochemistry, 39, 2000
8GB2
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BU of 8gb2 by Molmil
Crystal structure of Apo-SAMHD1
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION
Authors:Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T.
Deposit date:2023-02-24
Release date:2023-06-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.07 Å)
Cite: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
Descriptor: 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
Authors:Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T.
Deposit date:2023-02-24
Release date:2023-06-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding.
Acs Chem.Biol., 18, 2023
1LMZ
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BU of 1lmz by Molmil
Solution Structure of 3-Methyladenine DNA Glycosylase I (TAG)
Descriptor: 3-methyladenine DNA glycosylase I (TAG)
Authors:Drohat, A.C, Kwon, K, Krosky, D.J, Stivers, J.T.
Deposit date:2002-05-02
Release date:2002-08-28
Last modified:2011-07-13
Method:SOLUTION NMR
Cite: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
Descriptor: PROTEIN (GLYCOSYLASE), URACIL
Authors:Xiao, G, Tordova, M, Jagadeesh, J, Drohat, A.C, Stivers, J.T, Gilliland, G.L.
Deposit date:1998-10-13
Release date:1999-10-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: PROTEIN (GLYCOSYLASE)
Authors:Xiao, G, Tordova, M, Jagadeesh, J, Drohat, A.C, Stivers, J.T, Gilliland, G.L.
Deposit date:1998-10-12
Release date:1999-10-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 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
Authors:Bianchet, M.A, Krosky, D.J, Stivers, J.T, Amzel, L.M.
Deposit date:2007-02-20
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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)
Descriptor: DNA strand1, DNA strand2, Uracil-DNA glycosylase
Authors:Bianchet, M.A, Krosky, D.J, Stivers, J.T, Amzel, L.M.
Deposit date:2007-02-22
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: 3-Methyladenine Dna Glycosylase I (TAG), ZINC ION
Authors:Kwon, K, Cao, C, Stivers, J.T.
Deposit date:2003-01-03
Release date:2003-06-03
Last modified:2022-02-23
Method:SOLUTION NMR
Cite: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
Descriptor: 3-METHYL-3H-PURIN-6-YLAMINE, DNA-3-methyladenine glycosylase I, ZINC ION
Authors:Cao, C, Kwon, K, Jiang, Y.L, Drohat, A.C, Stivers, J.T.
Deposit date:2003-05-02
Release date:2003-11-25
Last modified:2022-02-23
Method:SOLUTION NMR
Cite: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
Descriptor: 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, ...
Authors:Bianchet, M.A, Seiple, L.A, Jiang, Y.L, Ichikawa, Y, Amzel, L.M, Stivers, J.T.
Deposit date:2003-07-29
Release date:2004-03-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: PROTEIN (GLYCOSYLASE), URACIL
Authors:Xiao, G, Tordova, M, Drohat, A.C, Jagadeesh, J, Stivers, J.T, Gilliland, G.L.
Deposit date:1998-12-27
Release date:1999-07-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: GLYCEROL, PROTEIN (GLYCOSYLASE)
Authors:Xiao, G, Tordova, M, Jagadeesh, J, Drohat, A.C, Stivers, J.T, Gilliland, G.L.
Deposit date:1998-10-13
Release date:1999-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite: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
Descriptor: 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1
Authors:Huynh, K.W, Ammirati, M, Han, S.
Deposit date:2022-03-31
Release date:2022-07-20
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Phosphorylation of SAMHD1 Thr592 increases C-terminal domain dynamics, tetramer dissociation and ssDNA binding kinetics.
Nucleic Acids Res., 50, 2022
8TDV
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BU of 8tdv by Molmil
ssRNA bound SAMHD1 T closed
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, RNA (5'-R(P*CP*CP*GP*AP*CP*CP*C)-3'), ...
Authors:Sung, M, Huynh, K, Han, S.
Deposit date:2023-07-05
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Guanine-containing ssDNA and RNA induce dimeric and tetrameric structural forms of SAMHD1.
Nucleic Acids Res., 51, 2023
8TDW
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BU of 8tdw by Molmil
ssRNA bound SAMHD1 T open
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, RNA (5'-R(P*CP*CP*GP*AP*CP*C)-3'), ...
Authors:Sung, M, Huynh, K, Han, S.
Deposit date:2023-07-05
Release date:2023-11-22
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Guanine-containing ssDNA and RNA induce dimeric and tetrameric structural forms of SAMHD1.
Nucleic Acids Res., 51, 2023

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