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1PXX
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CRYSTAL STRUCTURE OF DICLOFENAC BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2
分子名称:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, B-OCTYLGLUCOSIDE, ...
著者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.
登録日2003-07-07
公開日2003-09-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Novel Mechanism of Cyclooxygenase-2 Inhibition Involving Interactions with Ser-530 and Tyr-385.
J.Biol.Chem., 278, 2003
1CVU
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CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2
分子名称:PROSTAGLANDIN H2 SYNTHASE-2, PROTEIN (9-MER), N-ACETYL-D-GLUCOSAMINE, ...
著者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.
登録日1999-08-24
公開日2000-05-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the stereochemistry of the cyclooxygenase reaction.
Nature, 405, 2000
1DDX
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CRYSTAL STRUCTURE OF A MIXTURE OF ARACHIDONIC ACID AND PROSTAGLANDIN BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2: PROSTAGLANDIN STRUCTURE
分子名称:PROTEIN (PROSTAGLANDIN H2 SYNTHASE-2), N-ACETYL-D-GLUCOSAMINE, B-OCTYLGLUCOSIDE, ...
著者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.
登録日1999-11-11
公開日2000-05-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into the stereochemistry of the cyclooxygenase reaction.
Nature, 405, 2000
1K29
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SOLUTION STRUCTURE OF A DNA DUPLEX CONTAINING M1G OPPOSITE A 2 BASE PAIR DELETION
分子名称: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'
著者Schnetz-Boutaud, N.C., Saleh, S., Marnett, L.J., Stone, M.P.
登録日2001-09-26
公開日2002-01-16
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献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
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SOLUTION STRUCTURE OF THE DNA HAIRPIN 13-MER CGCGGTGTCCGCG
分子名称:5'-D(*CP*GP*CP*GP*GP*TP*GP*TP*CP*CP*GP*CP*G)-3'
著者Weisenseel, J.P., Reddy, G.R., Marnett, L.J., Stone, M.P.
登録日2002-03-28
公開日2002-04-17
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献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
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SOLUTION STRUCTURE OF THE DNA 13-MER HAIRPIN CGCGGTXTCCGCG (X=PDG) CONTAINING THE 1,N2-PROPANODEOXYGUANOSINE ADDUCT AT THE SEVENTH POSITION
分子名称:5'-D(*CP*GP*CP*GP*GP*TP*(P)P*TP*CP*CP*GP*CP*G)-3'
著者Weisenseel, J.P., Reddy, G.R., Marnett, L.J., Stone, M.P.
登録日2002-03-28
公開日2002-04-17
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献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
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SOLUTION STRUCTURE OF THE B-DNA DUPLEX CGCGGTGTCCGCG.
分子名称: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'
著者Weisenseel, J.P., Reddy, G.R., Marnett, L.J., Stone, M.P.
登録日2002-03-28
公開日2002-04-17
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献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
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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.
分子名称: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'
著者Weisenseel, J.P., Reddy, G.R., Marnett, L.J., Stone, M.P.
登録日2002-03-29
公開日2002-04-17
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献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
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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.
分子名称: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'
著者Weisenseel, J.P., Reddy, G.R., Marnett, L.J., Stone, M.P.
登録日2002-03-29
公開日2002-04-17
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献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
2V4Q
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POST-INSERTION COMPLEX OF THE Y-FAMILY DNA POLYMERASE DPO4 WITH M1DG CONTAINING TEMPLATE DNA
分子名称: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', ...
著者Eoff, R.L., Stafford, J.B., Szekely, J., Rizzo, C.J., Egli, M., Guengerich, F.P., Marnett, L.J.
登録日2008-09-26
公開日2009-06-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Functional Analysis of Sulfolobus Solfataricus Y-Family DNA Polymerase Dpo4-Catalyzed Bypass of the Malondialdehyde-Deoxyguanosine Adduct.
Biochemistry, 48, 2009
2V4R
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NON-PRODUCTIVE COMPLEX OF THE Y-FAMILY DNA POLYMERASE DPO4 WITH DGTP SKIPPING THE M1DG ADDUCT TO PAIR WITH THE NEXT TEMPLATE CYTOSINE
分子名称: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', ...
著者Eoff, R.L., Stafford, J.B., Szekely, J., Rizzo, C.J., Egli, M., Guengerich, F.P., Marnett, L.J.
登録日2008-09-26
公開日2009-06-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Functional Analysis of Sulfolobus Solfataricus Y-Family DNA Polymerase Dpo4-Catalyzed Bypass of the Malondialdehyde-Deoxyguanosine Adduct.
Biochemistry, 48, 2009
3NT1
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HIGH RESOLUTION STRUCTURE OF NAPROXEN:COX-2 COMPLEX.
分子名称:Prostaglandin-endoperoxide synthase 2, N-ACETYL-D-GLUCOSAMINE, B-OCTYLGLUCOSIDE, ...
著者Duggan, K.C., Musee, J., Walters, M.J., Harp, J.M., Kiefer, J.R., Oates, J.A., Marnett, L.J.
登録日2010-07-02
公開日2010-09-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
3NTB
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STRUCTURE OF 6-METHYLTHIO NAPROXEN ANALOG BOUND TO MCOX-2.
分子名称:Prostaglandin-endoperoxide synthase 2, PROTOPORPHYRIN IX CONTAINING FE, N-ACETYL-D-GLUCOSAMINE, ...
著者Duggan, K.C., Musee, J., Walters, M.J., Harp, J.M., Kiefer, J.R., Oates, J.A., Marnett, L.J.
登録日2010-07-03
公開日2010-09-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
3Q7D
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STRUCTURE OF (R)-NAPROXEN BOUND TO MCOX-2.
分子名称:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Duggan, K.C., Hermanson, D.J., Musee, J., Prusakiewicz, J.J., Scheib, J., Carter, B.D., Banerjee, S., Marnett, L.J.
登録日2011-01-04
公開日2011-11-09
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献(R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
3RDE
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF PORCINE LEUKOCYTE 12-LIPOXYGENASE
分子名称:Arachidonate 12-lipoxygenase, 12S-type, POTASSIUM ION, ...
著者Funk, M.O., Xu, S., Marnett, L.J., Mueser, T.C.
登録日2011-04-01
公開日2012-04-18
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Crystal structure of 12-lipoxygenase catalytic-domain-inhibitor complex identifies a substrate-binding channel for catalysis.
Structure, 20, 2012
3RR3
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STRUCTURE OF (R)-FLURBIPROFEN BOUND TO MCOX-2
分子名称:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Duggan, K.C., Hermanson, D.J., Musee, J., Prusakiewicz, J.J., Scheib, J., Carter, B.D., Banerjee, S., Oates, J.A., Marnett, L.J.
登録日2011-04-28
公開日2011-11-09
最終更新日2012-03-21
実験手法X-RAY DIFFRACTION (2.842 Å)
主引用文献(R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
4DBW
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CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 (AKR1C3) IN COMPLEX WITH NADP+ AND 2'-DESMETHYL-INDOMETHACIN
分子名称:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
著者Chen, M., Christianson, D.W., Marnett, L.J., Penning, T.M.
登録日2012-01-16
公開日2013-03-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献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
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X-RAY STRUCTURE OF DES-METHYLFLURBIPROFEN BOUND TO MURINE COX-2
分子名称:Prostaglandin G/H synthase 2, B-OCTYLGLUCOSIDE, N-ACETYL-D-GLUCOSAMINE, ...
著者Xu, S., Banerjee, S., Windsor, M.A., Marnett, L.J.
登録日2012-06-15
公開日2012-08-29
最終更新日2012-12-19
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes.
ACS Med Chem Lett, 3, 2012
4M10
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CRYSTAL STRUCTURE OF MURINE CYCLOOXYGENASE-2 COMPLEX WITH ISOXICAM
分子名称:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Xu, S., Hermanson, D.J., Banerjee, S., Ghebreelasie, K., Marnett, L.J.
登録日2013-08-02
公開日2014-01-22
最終更新日2014-05-14
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
4M11
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CRYSTAL STRUCTURE OF MURINE CYCLOOXYGENASE-2 COMPLEX WITH MELOXICAM
分子名称:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Xu, S., Banerjee, S., Hermanson, D.J., Marnett, L.J.
登録日2013-08-02
公開日2014-01-22
最終更新日2014-05-14
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
4O1Z
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CRYSTAL STRUCTURE OF OVINE CYCLOOXYGENASE-1 COMPLEX WITH MELOXICAM
分子名称:Prostaglandin G/H synthase 1, PROTOPORPHYRIN IX CONTAINING FE, N-ACETYL-D-GLUCOSAMINE, ...
著者Xu, S., Hermanson, D.J., Banerjee, S., Ghebreselasie, K., Clayton, G.M., Garavito, R.M., Marnett, L.J.
登録日2013-12-16
公開日2014-01-22
最終更新日2014-05-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
4OTJ
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THE COMPLEX OF MURINE CYCLOOXYGENASE-2 WITH A CONJUGATE OF INDOMEFATHIN AND PODOPHYLLOTOXIN, N-{(SUCCINYLPODOPHYLLOTOXINYL)BUT-4-YL}-2-{1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL}ACETAMIDE
分子名称:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Xu, S., Uddin, M.J., Banerjee, S., Marnett, L.J.
登録日2014-02-13
公開日2015-04-08
最終更新日2017-02-15
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors.
Acs Chem.Biol., 11, 2016
4OTY
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CRYSTAL STRUCTURE OF LUMIRACOXIB BOUND TO THE APO-MOUSE-CYCLOOXYGENASE-2
分子名称:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid, ...
著者Xu, S., Windsor, M.A., Banerjee, S., Marnett, L.J.
登録日2014-02-14
公開日2014-02-26
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Exploring the molecular determinants of substrate-selective inhibition of cyclooxygenase-2 by lumiracoxib.
Bioorg.Med.Chem.Lett., 23, 2013
4RRW
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CRYSTAL STRUCTURE OF APO MURINE CYCLOOXYGENASE-2
分子名称:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid
著者Xu, S., Blobaum, A.L., Banerjee, S., Marnett, L.J.
登録日2014-11-06
公開日2015-04-08
最終更新日2015-06-03
実験手法X-RAY DIFFRACTION (2.569 Å)
主引用文献Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2.
J.Biol.Chem., 290, 2015
4RRX
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CRYSTAL STRUCTURE OF APO MURINE V89W CYCLOOXYGENASE-2 COMPLEXED WITH LUMIRACOXIB
分子名称:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, B-OCTYLGLUCOSIDE, ...
著者Xu, S., Blobaum, A.L., Banerjee, S., Marnett, L.J.
登録日2014-11-06
公開日2015-04-08
最終更新日2015-06-03
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2.
J.Biol.Chem., 290, 2015
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