Author results

1AG3
  • Download 1ag3
  • View 1ag3
Molmil generated image of 1ag3
DUPLEX OLIGODEOXYNUCLEOTIDE CONTAINING PROPANODEOXYGUANOSINE OPPOSITE A TWO-BASE DELETION, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor:DNA (5'-D(*AP*TP*CP*GP*CP*PP*CP*GP*GP*CP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*GP*CP*CP*GP*CP*GP*AP*T)-3')
Authors:Weisenseel, J.P., Stone, M.P.
Deposit date:1997-03-31
Release date:1997-07-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of a duplex oligodeoxynucleotide containing propanodeoxyguanosine opposite a two-base deletion in the (CpG)3 frame shift hotspot of Salmonella typhimurium hisD3052 determined by 1H NMR and restrained molecular dynamics.
Biochemistry, 34, 1995
1CVU
  • Download 1cvu
  • View 1cvu
Molmil generated image of 1cvu
CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2
Descriptor:PROSTAGLANDIN H2 SYNTHASE-2, PROTEIN (9-MER), N-ACETYL-D-GLUCOSAMINE, ...
Authors:Kiefer, J.R., Pawlitz, J.L., Moreland, K.T., Stegeman, R.A., Gierse, J.K., Stevens, A.M., Goodwin, D.C., Rowlinson, S.W., Marnett, L.J., Stallings, W.C., Kurumbail, R.G.
Deposit date:1999-08-24
Release date:2000-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the stereochemistry of the cyclooxygenase reaction.
Nature, 405, 2000
1DDX
  • Download 1ddx
  • View 1ddx
Molmil generated image of 1ddx
CRYSTAL STRUCTURE OF A MIXTURE OF ARACHIDONIC ACID AND PROSTAGLANDIN BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2: PROSTAGLANDIN STRUCTURE
Descriptor:PROTEIN (PROSTAGLANDIN H2 SYNTHASE-2), N-ACETYL-D-GLUCOSAMINE, B-OCTYLGLUCOSIDE, ...
Authors:Kiefer, J.R., Pawlitz, J.L., Moreland, K.T., Stegeman, R.A., Gierse, J.K., Stevens, A.M., Goodwin, D.C., Rowlinson, S.W., Marnett, L.J., Stallings, W.C., Kurumbail, R.G.
Deposit date:1999-11-11
Release date:2000-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into the stereochemistry of the cyclooxygenase reaction.
Nature, 405, 2000
1K29
  • Download 1k29
  • View 1k29
Molmil generated image of 1k29
SOLUTION STRUCTURE OF A DNA DUPLEX CONTAINING M1G OPPOSITE A 2 BASE PAIR DELETION
Descriptor:5'-D(*AP*TP*CP*GP*CP*(M1G)P*CP*GP*GP*CP*AP*TP*G)-3', 5'-D(*CP*AP*TP*GP*CP*CP*GP*CP*GP*AP*T)-3'
Authors:Schnetz-Boutaud, N.C., Saleh, S., Marnett, L.J., Stone, M.P.
Deposit date:2001-09-26
Release date:2002-01-16
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:The exocyclic 1,N2-deoxyguanosine pyrimidopurinone M1G is a chemically stable DNA adduct when placed opposite a two-base deletion in the (CpG)3 frameshift hotspot of the Salmonella typhimurium hisD3052 gene.
Biochemistry, 40, 2001
1LA8
  • Download 1la8
  • View 1la8
Molmil generated image of 1la8
SOLUTION STRUCTURE OF THE DNA HAIRPIN 13-MER CGCGGTGTCCGCG
Descriptor:5'-D(*CP*GP*CP*GP*GP*TP*GP*TP*CP*CP*GP*CP*G)-3'
Authors:Weisenseel, J.P., Reddy, G.R., Marnett, L.J., Stone, M.P.
Deposit date:2002-03-28
Release date:2002-04-17
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of the 1,N(2)-propanodeoxyguanosine adduct in a three-base DNA hairpin loop derived from a palindrome in the Salmonella typhimurium hisD3052 gene.
Chem.Res.Toxicol., 15, 2002
1LAE
  • Download 1lae
  • View 1lae
Molmil generated image of 1lae
SOLUTION STRUCTURE OF THE DNA 13-MER HAIRPIN CGCGGTXTCCGCG (X=PDG) CONTAINING THE 1,N2-PROPANODEOXYGUANOSINE ADDUCT AT THE SEVENTH POSITION
Descriptor:5'-D(*CP*GP*CP*GP*GP*TP*(P)P*TP*CP*CP*GP*CP*G)-3'
Authors:Weisenseel, J.P., Reddy, G.R., Marnett, L.J., Stone, M.P.
Deposit date:2002-03-28
Release date:2002-04-17
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of the 1,N(2)-propanodeoxyguanosine adduct in a three-base DNA hairpin loop derived from a palindrome in the Salmonella typhimurium hisD3052 gene.
Chem.Res.Toxicol., 15, 2002
1LAI
  • Download 1lai
  • View 1lai
Molmil generated image of 1lai
SOLUTION STRUCTURE OF THE B-DNA DUPLEX CGCGGTGTCCGCG.
Descriptor:5'-D(*CP*GP*CP*GP*GP*TP*GP*TP*CP*CP*GP*CP*G)-3', 5'-D(*CP*GP*CP*GP*GP*AP*CP*AP*CP*CP*GP*CP*G)-3'
Authors:Weisenseel, J.P., Reddy, G.R., Marnett, L.J., Stone, M.P.
Deposit date:2002-03-28
Release date:2002-04-17
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of an oligodeoxynucleotide containing a 1,N(2)-propanodeoxyguanosine adduct positioned in a palindrome derived from the Salmonella typhimurium hisD3052 gene: Hoogsteen pairing at pH 5.2.
Chem.Res.Toxicol., 15, 2002
1LAQ
  • Download 1laq
  • View 1laq
Molmil generated image of 1laq
SOLUTION STRUCTURE OF THE B-DNA DUPLEX CGCGGTXTCCGCG (X=PDG) CONTAINING THE 1,N2-PROPANODEOXYGUANOSINE ADDUCT WITH THE DEOXYRIBOSE AT C20 OPPOSITE PDG IN THE C2' ENDO CONFORMATION.
Descriptor:5'-D(*CP*GP*CP*GP*GP*TP*(P)P*TP*CP*CP*GP*CP*G)-3', 5'-D(*CP*GP*CP*GP*GP*AP*(DNR)P*AP*CP*CP*GP*CP*G)-3'
Authors:Weisenseel, J.P., Reddy, G.R., Marnett, L.J., Stone, M.P.
Deposit date:2002-03-29
Release date:2002-04-17
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of an oligodeoxynucleotide containing a 1,N(2)-propanodeoxyguanosine adduct positioned in a palindrome derived from the Salmonella typhimurium hisD3052 gene: Hoogsteen pairing at pH 5.2.
Chem.Res.Toxicol., 15, 2002
1LAS
  • Download 1las
  • View 1las
Molmil generated image of 1las
SOLUTION STRUCTURE OF THE B-DNA DUPLEX CGCGGTXTCCGCG (X=PDG) CONTAINING THE 1,N2-PROPANODEOXYGUANOSINE ADDUCT WITH THE DEOXYRIBOSE AT C20 OPPOSITE PDG IN THE C3' ENDO CONFORMATION.
Descriptor:5'-D(*CP*GP*CP*GP*GP*TP*(P)P*TP*CP*CP*GP*CP*G)-3', 5'-D(*CP*GP*CP*GP*GP*AP*(DNR)P*AP*CP*CP*GP*CP*G)-3'
Authors:Weisenseel, J.P., Reddy, G.R., Marnett, L.J., Stone, M.P.
Deposit date:2002-03-29
Release date:2002-04-17
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of an oligodeoxynucleotide containing a 1,N(2)-propanodeoxyguanosine adduct positioned in a palindrome derived from the Salmonella typhimurium hisD3052 gene: Hoogsteen pairing at pH 5.2.
Chem.Res.Toxicol., 15, 2002
1PXX
  • Download 1pxx
  • View 1pxx
Molmil generated image of 1pxx
CRYSTAL STRUCTURE OF DICLOFENAC BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2
Descriptor:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, B-OCTYLGLUCOSIDE, ...
Authors:Kiefer, J.R., Rowlinson, S.W., Prusakiewicz, J.J., Pawlitz, J.L., Kozak, K.R., Kalgutkar, A.S., Stallings, W.C., Marnett, L.J., Kurumbail, R.G.
Deposit date:2003-07-07
Release date:2003-09-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Novel Mechanism of Cyclooxygenase-2 Inhibition Involving Interactions with Ser-530 and Tyr-385.
J.Biol.Chem., 278, 2003
2OYE
  • Download 2oye
  • View 2oye
Molmil generated image of 2oye
INDOMETHACIN-(R)-ALPHA-ETHYL-ETHANOLAMIDE BOUND TO CYCLOOXYGENASE-1
Descriptor:Prostaglandin G/H synthase 1, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Harman, C.A., Garavito, R.M.
Deposit date:2007-02-21
Release date:2007-07-24
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.
J.Biol.Chem., 282, 2007
2OYU
  • Download 2oyu
  • View 2oyu
Molmil generated image of 2oyu
INDOMETHACIN-(S)-ALPHA-ETHYL-ETHANOLAMIDE BOUND TO CYCLOOXYGENASE-1
Descriptor:Prostaglandin G/H synthase 1, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Harman, C.A., Garavito, R.M.
Deposit date:2007-02-23
Release date:2007-07-24
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.
J.Biol.Chem., 282, 2007
2R8G
  • Download 2r8g
  • View 2r8g
Molmil generated image of 2r8g
SELECTIVITY OF NUCLEOSIDE TRIPHOSPHATE INCORPORATION OPPOSITE 1,N2-PROPANODEOXYGUANOSINE (PDG) BY THE SULFOLOBUS SOLFATARICUS DNA POLYMERASE DPO4 POLYMERASE
Descriptor:5'-D(*DGP*DGP*DGP*DGP*DGP*DAP*DAP*DGP*DGP*DAP*DTP*DTP*DT)-3', 5'-D(*DTP*DCP*DAP*DCP*(P)P*DGP*DAP*DAP*DAP*DTP*DCP*DCP*DTP*DTP*DCP*DCP*DCP*DCP*DC)-3', DNA polymerase IV, ...
Authors:Wang, Y., Saleh, S., Marnette, L.J., Egli, M., Stone, M.P.
Deposit date:2007-09-10
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insertion of dNTPs opposite the 1,N2-propanodeoxyguanosine adduct by Sulfolobus solfataricus P2 DNA polymerase IV
Biochemistry, 47, 2008
2R8H
  • Download 2r8h
  • View 2r8h
Molmil generated image of 2r8h
SELECTIVITY OF NUCLEOSIDE TRIPHOSPHATE INCORPORATION OPPOSITE 1,N2-PROPANODEOXYGUANOSINE (PDG) BY THE SULFOLOBUS SOLFATARICUS DNA POLYMERASE DPO4 POLYMERASE
Descriptor:DNA (5'-D(*DGP*DGP*DGP*DGP*DGP*DAP*DAP*DGP*DGP*DAP*DTP*DTP*DC)-3'), DNA (5'-D(*DTP*DCP*DAP*DCP*(P)P*DGP*DAP*DAP*DTP*DCP*DCP*DTP*DTP*DCP*DCP*DCP*DCP*DC)-3'), DNA polymerase IV, ...
Authors:Wang, Y., Saleh, S., Marnette, L.J., Egli, M., Stone, M.P.
Deposit date:2007-09-10
Release date:2008-07-22
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Insertion of dNTPs opposite the 1,N2-propanodeoxyguanosine adduct by Sulfolobus solfataricus P2 DNA polymerase IV
Biochemistry, 47, 2008
2R8I
  • Download 2r8i
  • View 2r8i
Molmil generated image of 2r8i
SELECTIVITY OF NUCLEOSIDE TRIPHOSPHATE INCORPORATION OPPOSITE 1,N2-PROPANODEOXYGUANOSINE (PDG) BY THE SULFOLOBUS SOLFATARICUS DNA POLYMERASE DPO4 POLYMERASE
Descriptor:DNA (5'-D(*DGP*DGP*DGP*DGP*DGP*DAP*DAP*DGP*DGP*DAP*DTP*DTP*DC)-3'), DNA (5'-D(*DTP*DCP*DAP*DTP*(P)P*DGP*DAP*DAP*DTP*DCP*DCP*DTP*DTP*DCP*DCP*DCP*DCP*DC)-3'), DNA polymerase IV, ...
Authors:Wang, Y., Saleh, S., Marnette, L.J., Egli, M., Stone, M.P.
Deposit date:2007-09-10
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Insertion of dNTPs opposite the 1,N2-propanodeoxyguanosine adduct by Sulfolobus solfataricus P2 DNA polymerase IV
Biochemistry, 47, 2008
2V4Q
  • Download 2v4q
  • View 2v4q
Molmil generated image of 2v4q
POST-INSERTION COMPLEX OF THE Y-FAMILY DNA POLYMERASE DPO4 WITH M1DG CONTAINING TEMPLATE DNA
Descriptor:DNA POLYMERASE IV, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*C)-3', 5'-D(*TP*CP*AP*C M1GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Eoff, R.L., Stafford, J.B., Szekely, J., Rizzo, C.J., Egli, M., Guengerich, F.P., Marnett, L.J.
Deposit date:2008-09-26
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Functional Analysis of Sulfolobus Solfataricus Y-Family DNA Polymerase Dpo4-Catalyzed Bypass of the Malondialdehyde-Deoxyguanosine Adduct.
Biochemistry, 48, 2009
2V4R
  • Download 2v4r
  • View 2v4r
Molmil generated image of 2v4r
NON-PRODUCTIVE COMPLEX OF THE Y-FAMILY DNA POLYMERASE DPO4 WITH DGTP SKIPPING THE M1DG ADDUCT TO PAIR WITH THE NEXT TEMPLATE CYTOSINE
Descriptor:DNA POLYMERASE IV, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3', 5'-D(*TP*CP*AP*CP*M1GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Eoff, R.L., Stafford, J.B., Szekely, J., Rizzo, C.J., Egli, M., Guengerich, F.P., Marnett, L.J.
Deposit date:2008-09-26
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Functional Analysis of Sulfolobus Solfataricus Y-Family DNA Polymerase Dpo4-Catalyzed Bypass of the Malondialdehyde-Deoxyguanosine Adduct.
Biochemistry, 48, 2009
3NT1
  • Download 3nt1
  • View 3nt1
Molmil generated image of 3nt1
HIGH RESOLUTION STRUCTURE OF NAPROXEN:COX-2 COMPLEX.
Descriptor:Prostaglandin-endoperoxide synthase 2, N-ACETYL-D-GLUCOSAMINE, B-OCTYLGLUCOSIDE, ...
Authors:Duggan, K.C., Musee, J., Walters, M.J., Harp, J.M., Kiefer, J.R., Oates, J.A., Marnett, L.J.
Deposit date:2010-07-02
Release date:2010-09-01
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
3NTB
  • Download 3ntb
  • View 3ntb
Molmil generated image of 3ntb
STRUCTURE OF 6-METHYLTHIO NAPROXEN ANALOG BOUND TO MCOX-2.
Descriptor:Prostaglandin-endoperoxide synthase 2, PROTOPORPHYRIN IX CONTAINING FE, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Duggan, K.C., Musee, J., Walters, M.J., Harp, J.M., Kiefer, J.R., Oates, J.A., Marnett, L.J.
Deposit date:2010-07-03
Release date:2010-09-01
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
3Q7D
  • Download 3q7d
  • View 3q7d
Molmil generated image of 3q7d
STRUCTURE OF (R)-NAPROXEN BOUND TO MCOX-2.
Descriptor:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Duggan, K.C., Hermanson, D.J., Musee, J., Prusakiewicz, J.J., Scheib, J., Carter, B.D., Banerjee, S., Marnett, L.J.
Deposit date:2011-01-04
Release date:2011-11-09
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:(R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
3RDE
  • Download 3rde
  • View 3rde
Molmil generated image of 3rde
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF PORCINE LEUKOCYTE 12-LIPOXYGENASE
Descriptor:Arachidonate 12-lipoxygenase, 12S-type, POTASSIUM ION, ...
Authors:Funk, M.O., Xu, S., Marnett, L.J., Mueser, T.C.
Deposit date:2011-04-01
Release date:2012-04-18
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Crystal structure of 12-lipoxygenase catalytic-domain-inhibitor complex identifies a substrate-binding channel for catalysis.
Structure, 20, 2012
3RR3
  • Download 3rr3
  • View 3rr3
Molmil generated image of 3rr3
STRUCTURE OF (R)-FLURBIPROFEN BOUND TO MCOX-2
Descriptor:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Duggan, K.C., Hermanson, D.J., Musee, J., Prusakiewicz, J.J., Scheib, J., Carter, B.D., Banerjee, S., Oates, J.A., Marnett, L.J.
Deposit date:2011-04-28
Release date:2011-11-09
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (2.842 Å)
Cite:(R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
4DBW
  • Download 4dbw
  • View 4dbw
Molmil generated image of 4dbw
CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 (AKR1C3) IN COMPLEX WITH NADP+ AND 2'-DESMETHYL-INDOMETHACIN
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
Authors:Chen, M., Christianson, D.W., Marnett, L.J., Penning, T.M.
Deposit date:2012-01-16
Release date:2013-03-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.
J.Med.Chem., 56, 2013
4FM5
  • Download 4fm5
  • View 4fm5
Molmil generated image of 4fm5
X-RAY STRUCTURE OF DES-METHYLFLURBIPROFEN BOUND TO MURINE COX-2
Descriptor:Prostaglandin G/H synthase 2, B-OCTYLGLUCOSIDE, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Xu, S., Banerjee, S., Windsor, M.A., Marnett, L.J.
Deposit date:2012-06-15
Release date:2012-08-29
Last modified:2012-12-19
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes.
ACS Med Chem Lett, 3, 2012
4M10
  • Download 4m10
  • View 4m10
Molmil generated image of 4m10
CRYSTAL STRUCTURE OF MURINE CYCLOOXYGENASE-2 COMPLEX WITH ISOXICAM
Descriptor:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Xu, S., Hermanson, D.J., Banerjee, S., Ghebreelasie, K., Marnett, L.J.
Deposit date:2013-08-02
Release date:2014-01-22
Last modified:2014-05-14
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
<12>