Author results

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
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
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
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