9AZX
 
 | | Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with NDPr | | Descriptor: | Non-structural protein 3, {(2R,3S,4R,5R)-5-[(8S)-4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-cyano-3,4-dihydroxyoxolan-2-yl}methyl [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate | | Authors: | Wallace, S.D, Bagde, S.R, Fromme, J.C. | | Deposit date: | 2024-03-11 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.395 Å) | | Cite: | GS-441524-Diphosphate-Ribose Derivatives as Nanomolar Binders and Fluorescence Polarization Tracers for SARS-CoV-2 and Other Viral Macrodomains.
Acs Chem.Biol., 2024
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8GIA
 | | Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with TFMU-ADPr | | Descriptor: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate | | Authors: | Wallace, S.D, Bagde, S.R, Fromme, J.C. | | Deposit date: | 2023-03-13 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | A Fluorescence Polarization Assay for Macrodomains Facilitates the Identification of Potent Inhibitors of the SARS-CoV-2 Macrodomain.
Acs Chem.Biol., 18, 2023
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1D9F
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF DNA POLYMERASE I KLENOW FRAGMENT WITH DNA TETRAMER CARRYING 2'-O-(3-AMINOPROPYL)-RNA MODIFICATION 5'-D(TT)-AP(U)-D(T)-3' | | Descriptor: | DNA POLYMERASE I, DNA/RNA (5'-D(*TP*TP)-R(*(U31)P)-D(*T)-3'), SULFATE ION, ... | | Authors: | Teplova, M, Wallace, S.T, Tereshko, V, Minasov, G, Simons, A.M, Cook, P.D, Manoharan, M, Egli, M. | | Deposit date: | 1999-10-27 | | Release date: | 1999-12-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural origins of the exonuclease resistance of a zwitterionic RNA.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1D8Y
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF DNA POLYMERASE I KLENOW FRAGMENT WITH DNA | | Descriptor: | D(T)19 OLIGOMER, DNA POLYMERASE I, SULFATE ION, ... | | Authors: | Teplova, M, Wallace, S.T, Tereshko, V, Minasov, G, Simons, A.M, Cook, P.D, Manoharan, M, Egli, M. | | Deposit date: | 1999-10-26 | | Release date: | 1999-12-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural origins of the exonuclease resistance of a zwitterionic RNA.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1D9D
 | | CRYSTALL STRUCTURE OF THE COMPLEX OF DNA POLYMERASE I KLENOW FRAGMENT WITH SHORT DNA FRAGMENT CARRYING 2'-0-AMINOPROPYL-RNA MODIFICATIONS 5'-D(TCG)-AP(AUC)-3' | | Descriptor: | 5'-D(*TP*CP*GP)-R(AP*(U31)P*(C31))-3', DNA POLYMERASE I, MAGNESIUM ION, ... | | Authors: | Teplova, M, Wallace, S.T, Tereshko, V, Minasov, G, Simons, A.M, Cook, P.D, Manoharan, M, Egli, M. | | Deposit date: | 1999-10-27 | | Release date: | 1999-12-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural origins of the exonuclease resistance of a zwitterionic RNA.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1D9H
 | | Structural origins of the exonuclease resistance of a zwitterionic RNA | | Descriptor: | DNA/RNA (5'-D(*GP*CP*GP*TP*AP)-R(*(U31)P)-D(*AP*CP*GP*C)-3') | | Authors: | Teplova, M, Wallace, S.T, Tereshko, V, Minasov, G, Simons, A.M, Cook, P.D, Manoharan, M, Egli, M. | | Deposit date: | 1999-10-27 | | Release date: | 1999-12-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural origins of the exonuclease resistance of a zwitterionic RNA
Proc.Natl.Acad.Sci.USA, 96, 1999
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1TDH
 | | Crystal structure of human endonuclease VIII-like 1 (NEIL1) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, nei endonuclease VIII-like 1 | | Authors: | Doublie, S, Bandaru, V, Bond, J.P, Wallace, S.S. | | Deposit date: | 2004-05-22 | | Release date: | 2004-07-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of human endonuclease VIII-like 1 (NEIL1) reveals a zincless finger motif required for glycosylase activity.
Proc.Natl.Acad.Sci.USA, 101, 2004
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2DTU
 | | Crystal structure of the beta hairpin loop deletion variant of RB69 gp43 in complex with DNA containing an abasic site analog | | Descriptor: | 5'-D(*CP*GP*(3DR)P*CP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3', 5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*AP*GP*A)-3', DNA polymerase | | Authors: | Aller, P, Hogg, M, Konigsberg, W, Wallace, S.S, Doublie, S. | | Deposit date: | 2006-07-15 | | Release date: | 2006-12-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structural and biochemical investigation of the role in proofreading of a beta hairpin loop found in the exonuclease domain of a replicative DNA polymerase of the B family.
J.Biol.Chem., 282, 2007
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3RMA
 | | Crystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol | | Descriptor: | DNA (5'-D(*CP*GP*AP*(CTG)*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3'), DNA polymerase | | Authors: | Aller, P, Duclos, S, Wallace, S.S, Doublie, S. | | Deposit date: | 2011-04-20 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | A crystallographic study of the role of sequence context in thymine glycol bypass by a replicative DNA polymerase serendipitously sheds light on the exonuclease complex.
J.Mol.Biol., 412, 2011
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3RMC
 | | Crystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol | | Descriptor: | DNA (5'-D(*CP*GP*TP*(CTG)P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3'), DNA polymerase | | Authors: | Aller, P, Duclos, S, Wallace, S.S, Doublie, S. | | Deposit date: | 2011-04-20 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A crystallographic study of the role of sequence context in thymine glycol bypass by a replicative DNA polymerase serendipitously sheds light on the exonuclease complex.
J.Mol.Biol., 412, 2011
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3RMB
 | | Crystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol | | Descriptor: | DNA (5'-D(*CP*GP*CP*(CTG)P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3'), DNA polymerase, ... | | Authors: | Aller, P, Duclos, S, Wallace, S.S, Doublie, S. | | Deposit date: | 2011-04-20 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A crystallographic study of the role of sequence context in thymine glycol bypass by a replicative DNA polymerase serendipitously sheds light on the exonuclease complex.
J.Mol.Biol., 412, 2011
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3RMD
 | | Crystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*TP*(CTG)P*G*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*AP*A)-3'), ... | | Authors: | Aller, P, Duclos, S, Wallace, S.S, Doublie, S. | | Deposit date: | 2011-04-20 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | A crystallographic study of the role of sequence context in thymine glycol bypass by a replicative DNA polymerase serendipitously sheds light on the exonuclease complex.
J.Mol.Biol., 412, 2011
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2DY4
 | | Crystal structure of RB69 GP43 in complex with DNA containing Thymine Glycol | | Descriptor: | 5'-D(*CP*GP*(CTG)P*GP*GP*AP*AP*TP*GP*A*CP*AP*GP*CP*CP*GP*CP*G)-3', 5'-D(*GP*CP*GP*GP*CP*TP*GP*T*CP*AP*TP*TP*CP*CP*A)-3', DNA polymerase | | Authors: | Aller, P, Rould, M.A, Hogg, M, Wallace, S.S, Doublie, S. | | Deposit date: | 2006-09-06 | | Release date: | 2007-01-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A structural rationale for stalling of a replicative DNA polymerase at the most common oxidative thymine lesion, thymine glycol.
Proc.Natl.Acad.Sci.USA, 104, 2007
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3A42
 | | Crystal structure of MvNei1 | | Descriptor: | Formamidopyrimidine-DNA glycosylase, GLYCEROL, SULFATE ION | | Authors: | Imamura, K, Wallace, S, Doublie, S. | | Deposit date: | 2009-06-30 | | Release date: | 2009-07-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Characterization of a Viral NEIL1 Ortholog Unliganded and Bound to Abasic Site-containing DNA
J.Biol.Chem., 284, 2009
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3A46
 | | Crystal structure of MvNei1/THF complex | | Descriptor: | DNA, Formamidopyrimidine-DNA glycosylase, GLYCEROL | | Authors: | Imamura, K, Wallace, S, Doublie, S. | | Deposit date: | 2009-07-01 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Characterization of a Viral NEIL1 Ortholog Unliganded and Bound to Abasic Site-containing DNA
J.Biol.Chem., 284, 2009
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3A45
 | | Crystal structure of MvNei1_2 | | Descriptor: | Formamidopyrimidine-DNA glycosylase, POTASSIUM ION | | Authors: | Imamura, K, Wallace, S, Doublie, S. | | Deposit date: | 2009-06-30 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Characterization of a Viral NEIL1 Ortholog Unliganded and Bound to Abasic Site-containing DNA
J.Biol.Chem., 284, 2009
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1I2Y
 | | 1.66 A STRUCTURE OF A-DUPLEX WITH BULGED ADENOSINE, SPERMINE FORM | | Descriptor: | DNA/RNA (5'-R(*GP*CP*G)-D(P*AP*TP*AP*T)-R(P*AP*CP*GP*U)-3'), SPERMINE | | Authors: | Tereshko, V, Wallace, S, Usman, N, Wincott, F, Egli, M. | | Deposit date: | 2001-02-12 | | Release date: | 2001-04-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | X-ray crystallographic observation of "in-line" and "adjacent" conformations in a bulged self-cleaving RNA/DNA hybrid.
RNA, 7, 2001
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1I2X
 | | 2.4 A STRUCTURE OF A-DUPLEX WITH BULGED ADENOSINE, SPERMIDINE FORM | | Descriptor: | DNA/RNA (5'-R(*GP*CP*G)-D(P*AP*TP*AP*T)-R(P*AP*CP*GP*U)-3'), SPERMIDINE | | Authors: | Tereshko, V, Wallace, S, Usman, N, Wincott, F, Egli, M. | | Deposit date: | 2001-02-12 | | Release date: | 2001-04-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray crystallographic observation of "in-line" and "adjacent" conformations in a bulged self-cleaving RNA/DNA hybrid.
RNA, 7, 2001
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3VK8
 | | Crystal structure of DNA-glycosylase bound to DNA containing Thymine glycol | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(CTG)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3'), GLYCEROL, ... | | Authors: | Imamura, K, Averill, A, Wallace, S.S, Doublie, S. | | Deposit date: | 2011-11-10 | | Release date: | 2011-12-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural characterization of viral ortholog of human DNA glycosylase NEIL1 bound to thymine glycol or 5-hydroxyuracil-containing DNA
J.Biol.Chem., 287, 2012
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3VK7
 | | Crystal structure of DNA-glycosylase bound to DNA containing 5-Hydroxyuracil | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(OHU)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*GP*AP*CP*GP*TP*GP*GP*AP*CP*G)-3'), FORMIC ACID, ... | | Authors: | Imamura, K, Averill, A, Wallace, S.S, Doublie, S. | | Deposit date: | 2011-11-10 | | Release date: | 2011-12-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural characterization of viral ortholog of human DNA glycosylase NEIL1 bound to thymine glycol or 5-hydroxyuracil-containing DNA
J.Biol.Chem., 287, 2012
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3L8B
 | | Crystal structure of a replicative DNA polymerase bound to the oxidized guanine lesion guanidinohydantoin | | Descriptor: | DNA (5'-D(*AP*C*TP*(G35)P*TP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*A)-3'), DNA polymerase, ... | | Authors: | Aller, P, Ye, Y, Wallace, S.S, Burrows, C.J, Doublie, S. | | Deposit date: | 2009-12-30 | | Release date: | 2010-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of a replicative DNA polymerase bound to the oxidized guanine lesion guanidinohydantoin.
Biochemistry, 49, 2010
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3LDS
 | | Crystal structure of RB69 gp43 with DNA and dATP opposite 8-oxoG | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*(8OG)P*CP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*AP*(DDG))-3'), ... | | Authors: | Hogg, M, Midkiff, J, Rudnicki, J, Reha-Krantz, L, Doublie, S, Wallace, S.S. | | Deposit date: | 2010-01-13 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Kinetics of mismatch formation opposite lesions by the replicative DNA polymerase from bacteriophage RB69.
Biochemistry, 49, 2010
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2OYQ
 | | Crystal structure of RB69 gp43 in complex with DNA with 5-NIMP opposite an abasic site analog | | Descriptor: | 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO -1H-INDOLE, DNA polymerase, MAGNESIUM ION, ... | | Authors: | Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S. | | Deposit date: | 2007-02-22 | | Release date: | 2007-10-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Caught bending the a-rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide.
Biochemistry, 46, 2007
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2P5O
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2P5G
 | | Crystal structure of RB69 gp43 in complex with DNA with dAMP opposite an abasic site analog in a 21mer template | | Descriptor: | DNA polymerase, Primer DNA, Template DNA | | Authors: | Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S. | | Deposit date: | 2007-03-15 | | Release date: | 2007-10-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Caught bending the a-rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide.
Biochemistry, 46, 2007
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