Author results

1EPS
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STRUCTURE AND TOPOLOGICAL SYMMETRY OF THE GLYPHOSPHATE 5-ENOL-PYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE: A DISTINCTIVE PROTEIN FOLD
Descriptor:5-ENOL-PYRUVYL-3-PHOSPHATE SYNTHASE
Authors:Stallings, W.C., Abdel-Meguid, S.S., Lim, L.W., Shieh, H.-S., Dayringer, H.E., Leimgruber, N.K., Stegeman, R.A., Anderson, K.S., Sikorski, J.A., Padgette, S.R., Kishore, G.M.
Deposit date:1991-04-05
Release date:1993-07-15
Last modified:2013-01-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and topological symmetry of the glyphosate target 5-enolpyruvylshikimate-3-phosphate synthase: a distinctive protein fold.
Proc.Natl.Acad.Sci.USA, 88, 1991
1MNG
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STRUCTURE-FUNCTION IN E. COLI IRON SUPEROXIDE DISMUTASE: COMPARISONS WITH THE MANGANESE ENZYME FROM T. THERMOPHILUS
Descriptor:MANGANESE SUPEROXIDE DISMUTASE, MANGANESE (II) ION, AZIDE ION
Authors:Lah, M.S., Dixon, M., Pattridge, K.A., Stallings, W.C., Fee, J.A., Ludwig, M.L.
Deposit date:1994-07-13
Release date:1994-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-function in Escherichia coli iron superoxide dismutase: comparisons with the manganese enzyme from Thermus thermophilus.
Biochemistry, 34, 1995
3MDS
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MAGANESE SUPEROXIDE DISMUTASE FROM THERMUS THERMOPHILUS
Descriptor:MANGANESE SUPEROXIDE DISMUTASE, MANGANESE (III) ION
Authors:Ludwig, M.L., Metzger, A.L., Pattridge, K.A., Stallings, W.C.
Deposit date:1993-10-20
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Manganese superoxide dismutase from Thermus thermophilus. A structural model refined at 1.8 A resolution.
J.Mol.Biol., 219, 1991
1ISA
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STRUCTURE-FUNCTION IN E. COLI IRON SUPEROXIDE DISMUTASE: COMPARISONS WITH THE MANGANESE ENZYME FROM T. THERMOPHILUS
Descriptor:IRON(II) SUPEROXIDE DISMUTASE, FE (II) ION
Authors:Lah, M.S., Dixon, M., Pattridge, K.A., Stallings, W.C., Fee, J.A., Ludwig, M.L.
Deposit date:1994-07-12
Release date:1994-09-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-function in Escherichia coli iron superoxide dismutase: comparisons with the manganese enzyme from Thermus thermophilus.
Biochemistry, 34, 1995
1ISB
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STRUCTURE-FUNCTION IN E. COLI IRON SUPEROXIDE DISMUTASE: COMPARISONS WITH THE MANGANESE ENZYME FROM T. THERMOPHILUS
Descriptor:IRON(III) SUPEROXIDE DISMUTASE, FE (III) ION
Authors:Lah, M.S., Dixon, M., Pattridge, K.A., Stallings, W.C., Fee, J.A., Ludwig, M.L.
Deposit date:1994-07-12
Release date:1994-09-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-function in Escherichia coli iron superoxide dismutase: comparisons with the manganese enzyme from Thermus thermophilus.
Biochemistry, 34, 1995
1ISC
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STRUCTURE-FUNCTION IN E. COLI IRON SUPEROXIDE DISMUTASE: COMPARISONS WITH THE MANGANESE ENZYME FROM T. THERMOPHILUS
Descriptor:IRON(III) SUPEROXIDE DISMUTASE, FE (III) ION, AZIDE ION
Authors:Lah, M.S., Dixon, M., Pattridge, K.A., Stallings, W.C., Fee, J.A., Ludwig, M.L.
Deposit date:1994-07-12
Release date:1994-09-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-function in Escherichia coli iron superoxide dismutase: comparisons with the manganese enzyme from Thermus thermophilus.
Biochemistry, 34, 1995
1PXX
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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
1Z6J
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CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF FACTOR VIIA/TISSUE FACTOR/PYRAZINONE INHIBITOR
Descriptor:Coagulation factor VII, Tissue factor, CALCIUM ION, ...
Authors:Schweitzer, B.A., Neumann, W.L., Rahman, H.K., Kusturin, C.L., Sample, K.R., Poda, G.I., Kurumbail, R.G., Stevens, A.M., Stegeman, R.A., Stallings, W.C.
Deposit date:2005-03-22
Release date:2005-05-03
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design and synthesis of pyrazinones containing novel P1 'side pocket' moieties as inhibitors of TF/VIIa.
Bioorg.Med.Chem.Lett., 15, 2005
1CVU
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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
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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
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
1CMV
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HUMAN CYTOMEGALOVIRUS PROTEASE
Descriptor:HUMAN CYTOMEGALOVIRUS PROTEASE
Authors:Shieh, H.-S., Kurumbail, R.G., Stevens, A.M., Stegeman, R.A., Sturman, E.J., Pak, J.Y., Wittwer, A.J., Palmier, M.O., Wiegand, R.C., Holwerda, B.C., Stallings, W.C.
Deposit date:1996-08-26
Release date:1997-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Three-dimensional structure of human cytomegalovirus protease.
Nature, 383, 1996
1HOV
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SOLUTION STRUCTURE OF A CATALYTIC DOMAIN OF MMP-2 COMPLEXED WITH SC-74020
Descriptor:MATRIX METALLOPROTEINASE-2, ZINC ION, CALCIUM ION, ...
Authors:Feng, Y., Likos, J.J., Zhu, L., Woodward, H., Munie, G., McDonald, J.J., Stevens, A.M., Howard, C.P., De Crescenzo, G.A., Welsch, D., Shieh, H.-S., Stallings, W.C.
Deposit date:2000-12-11
Release date:2001-12-12
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of the catalytic domain of matrix metalloproteinase-2 complexed with a hydroxamic acid inhibitor
Biochim.Biophys.Acta, 1598, 2002
1OXW
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THE CRYSTAL STRUCTURE OF SEMET PATATIN
Descriptor:Patatin
Authors:Rydel, T.J., Williams, J.M., Krieger, E., Moshiri, F., Stallings, W.C., Brown, S.M., Pershing, J.C., Purcell, J.P., Alibhai, M.F.
Deposit date:2003-04-03
Release date:2003-05-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structure, Mutagenesis, and Activity Studies Reveal that Patatin Is a Lipid Acyl Hydrolase with a Ser-Asp Catalytic Dyad
Biochemistry, 42, 2003
3HC8
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INVESTIGATION OF AMINOPYRIDIOPYRAZINONES AS PDE5 INHIBITORS: EVALUATION OF MODIFICATIONS TO THE CENTRAL RING SYSTEM.
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase,cAMP-specific 3',5'-cyclic phosphodiesterase 4A, 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one, ZINC ION, ...
Authors:Hughes, R.O., Stallings, W.C., Cubbage, J.W., Williams, J.M.
Deposit date:2009-05-05
Release date:2009-07-07
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system.
Bioorg.Med.Chem.Lett., 2009
1CX2
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CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558
Descriptor:CYCLOOXYGENASE-2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kurumbail, R., Stallings, W.
Deposit date:1996-12-17
Release date:1997-12-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
3PGH
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CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, FLURBIPROFEN
Descriptor:CYCLOOXYGENASE-2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kurumbail, R., Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
4COX
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CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, INDOMETHACIN
Descriptor:CYCLOOXYGENASE-2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kurumbail, R., Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
5COX
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UNINHIBITED MOUSE CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2)
Descriptor:CYCLOOXYGENASE-2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kurumbail, R., Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
6COX
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CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558 IN I222 SPACE GROUP
Descriptor:CYCLOOXYGENASE-2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kurumbail, R., Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
1MSD
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COMPARISON OF THE CRYSTAL STRUCTURES OF GENETICALLY ENGINEERED HUMAN MANGANESE SUPEROXIDE DISMUTASE AND MANGANESE SUPEROXIDE DISMUTASE FROM THERMUS THERMOPHILUS. DIFFERENCES IN DIMER-DIMER INTERACTIONS.
Descriptor:MANGANESE SUPEROXIDE DISMUTASE, MANGANESE (II) ION
Authors:Sussman, J., Wagner, U.G., Pattridge, K.A., Ludwig, M.L.
Deposit date:1992-11-10
Release date:1993-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Comparison of the crystal structures of genetically engineered human manganese superoxide dismutase and manganese superoxide dismutase from Thermus thermophilus: differences in dimer-dimer interaction.
Protein Sci., 2, 1993
1R35
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MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER, TETRAHYDROBIOPTERIN AND 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE
Descriptor:Nitric oxide synthase, inducible, SULFATE ION, ...
Authors:Shieh, H.S., Stevens, A.M., Stallings, W.C.
Deposit date:2003-09-30
Release date:2004-10-05
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:4-Fluorinated L-lysine analogs as selective i-NOS inhibitors: methodology for introducing fluorine into the lysine side chain.
Org.Biomol.Chem., 1, 2003
3HDZ
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IDENTIFICATION, SYNTHESIS, AND SAR OF AMINO SUBSTITUTED PYRIDO[3,2B]PRYAZIONES AS POTENT AND SELECTIVE PDE5 INHIBITORS
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase,cAMP-specific 3',5'-cyclic phosphodiesterase 4A,cGMP-specific 3',5'-cyclic phosphodiesterase, 5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one, ZINC ION, ...
Authors:Cubbage, J.W., Brown, D.G., Jacobsen, E.J., Walker, J.K., Hughes, R.O.
Deposit date:2009-05-07
Release date:2009-07-07
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification, synthesis and SAR of amino substituted pyrido[3,2b]pyrazinones as potent and selective PDE5 inhibitors.
Bioorg.Med.Chem.Lett., 2009
3LN0
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STRUCTURE OF COMPOUND 5C-S BOUND AT THE ACTIVE SITE OF COX-2
Descriptor:Prostaglandin G/H synthase 2, PROTOPORPHYRIN IX CONTAINING FE, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Kiefer, J.R., Kurumbail, R.G., Stallings, W.C., Pawlitz, J.L.
Deposit date:2010-02-01
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
3LN1
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STRUCTURE OF CELECOXIB BOUND AT THE COX-2 ACTIVE SITE
Descriptor:Prostaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kiefer, J.R., Kurumbail, R.G., Stallings, W.C., Pawlitz, J.L.
Deposit date:2010-02-01
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
1LNH
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LIPOXYGENASE-3(SOYBEAN) NON-HEME FE(II) METALLOPROTEIN
Descriptor:LIPOXYGENASE-3, FE (II) ION
Authors:Skrzypczak-Jankun, E.
Deposit date:1996-03-29
Release date:1997-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of soybean lipoxygenase L3 and a comparison with its L1 isoenzyme.
Proteins, 29, 1997