Author results

1G4K
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X-RAY STRUCTURE OF A NOVEL MATRIX METALLOPROTEINASE INHIBITOR COMPLEXED TO STROMELYSIN
Descriptor:STROMELYSIN-1, ZINC ION, CALCIUM ION, ...
Authors:Dunten, P., Kammlott, U., Crowther, R., Levin, W., Foley, L.H., Wang, P., Palermo, R.
Deposit date:2000-10-27
Release date:2001-04-25
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of a novel matrix metalloproteinase inhibitor complexed to stromelysin.
Protein Sci., 10, 2001
1DPP
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DIPEPTIDE BINDING PROTEIN COMPLEX WITH GLYCYL-L-LEUCINE
Descriptor:DIPEPTIDE BINDING PROTEIN, GLYCINE, LEUCINE
Authors:Dunten, P., Mowbray, S.L.
Deposit date:1995-08-11
Release date:1995-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the dipeptide binding protein from Escherichia coli involved in active transport and chemotaxis.
Protein Sci., 4, 1995
1FPP
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PROTEIN FARNESYLTRANSFERASE COMPLEX WITH FARNESYL DIPHOSPHATE
Descriptor:PROTEIN FARNESYLTRANSFERASE, ZINC ION, PHOSPHATE ION, ...
Authors:Dunten, P., Kammlott, U., Crowther, R., Weber, D., Palermo, R., Birktoft, J.
Deposit date:1998-07-10
Release date:1999-06-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Protein farnesyltransferase: structure and implications for substrate binding.
Biochemistry, 37, 1998
1KHB
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PEPCK COMPLEX WITH NONHYDROLYZABLE GTP ANALOG, NATIVE DATA
Descriptor:Phosphoenolpyruvate carboxykinase, cytosolic (GTP), MANGANESE (II) ION, ...
Authors:Dunten, P., Belunis, C., Crowther, R., Hollfelder, K., Kammlott, U., Levin, W., Michel, H., Ramsey, G.B., Swain, A., Weber, D., Wertheimer, S.J.
Deposit date:2001-11-29
Release date:2002-02-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site.
J.Mol.Biol., 316, 2002
1KHE
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PEPCK COMPLEX WITH NONHYDROLYZABLE GTP ANALOG, MAD DATA
Descriptor:Phosphoenolpyruvate Carboxykinase, cytosolic (GTP), MANGANESE (II) ION, ...
Authors:Dunten, P., Belunis, C., Crowther, R., Hollfelder, K., Kammlott, U., Levin, W., Michel, H., Ramsey, G.B., Swain, A., Weber, D., Wertheimer, S.J.
Deposit date:2001-11-29
Release date:2002-02-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site.
J.Mol.Biol., 316, 2002
1KHF
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PEPCK COMPLEX WITH PEP
Descriptor:Phosphoenolpyruvate Carboxykinase, cytosolic (GTP), MANGANESE (II) ION, ...
Authors:Dunten, P., Belunis, C., Crowther, R., Hollfelder, K., Kammlott, U., Levin, W., Michel, H., Ramsey, G.B., Swain, A., Weber, D., Wertheimer, S.J.
Deposit date:2001-11-29
Release date:2002-02-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site.
J.Mol.Biol., 316, 2002
1KHG
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PEPCK
Descriptor:Phosphoenolpyruvate carboxykinase, cytosolic (GTP), MANGANESE (II) ION, ...
Authors:Dunten, P., Belunis, C., Crowther, R., Hollfelder, K., Kammlott, U., Levin, W., Michel, H., Ramsey, G.B., Swain, A., Weber, D., Wertheimer, S.J.
Deposit date:2001-11-29
Release date:2002-02-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site.
J.Mol.Biol., 316, 2002
2GMV
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PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR
Descriptor:Phosphoenolpyruvate carboxykinase, cytosolic, MANGANESE (II) ION, ...
Authors:Dunten, P.
Deposit date:2006-04-07
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:C-8 Modifications of 3-alkyl-1,8-dibenzylxanthines as inhibitors of human cytosolic phosphoenolpyruvate carboxykinase.
Bioorg.Med.Chem.Lett., 17, 2007
1M51
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PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR
Descriptor:phosphoenolpyruvate carboxykinase, cytosolic, MANGANESE (II) ION, ...
Authors:Foley, L.H., Wang, P., Dunten, P., Wertheimer, S.J.
Deposit date:2002-07-06
Release date:2003-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:X-ray Structures of two xanthine inhibitors bound to PEPCK and N-3 modifications of substituted 1,8-Dibenzylxanthines
Bioorg.Med.Chem.Lett., 13, 2003
1NHX
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PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR
Descriptor:PHOSPHOENOLPYRUVATE CARBOXYKINASE, CYTOSOLIC, MANGANESE (II) ION, ...
Authors:Foley, L.H., Wang, P., Dunten, P., Ramsey, G., Gubler, M.-L., Wertheimer, S.J.
Deposit date:2002-12-19
Release date:2003-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-RAY STRUCTURES OF TWO XANTHINE INHIBITORS BOUND TO PEPCK and N-3 modifications of substituted 1,8-Dibenzylxanthines
Bioorg.Med.Chem.Lett., 13, 2003
1OZ1
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P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR
Descriptor:Mitogen-activated protein kinase 14, 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
Authors:Lovejoy, B., Villasenor, A., Browner, M., Dunten, P.
Deposit date:2003-04-07
Release date:2003-09-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
1C3I
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HUMAN STROMELYSIN-1 CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812
Descriptor:STROMELYSIN-1, ZINC ION, CALCIUM ION, ...
Authors:Steele, D.L., Kammlott, R.U., Crowther, R.L., Birktoft, J.J., Dunten, P., Engler, J.E.
Deposit date:1999-07-27
Release date:2000-07-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Expression, characterization and structure determination of an active site mutant (Glu202-Gln) of mini-stromelysin-1.
Protein Eng., 13, 2000
1C8T
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HUMAN STROMELYSIN-1 (E202Q) CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812
Descriptor:STROMELYSIN-1, ZINC ION, CALCIUM ION, ...
Authors:Steele, D.L., el-Kabbani, O., Dunten, P., Crowther, R.L.
Deposit date:1999-07-29
Release date:2000-07-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Expression, characterization and structure determination of an active site mutant (Glu202-Gln) of mini-stromelysin-1.
Protein Eng., 13, 2000
1R0E
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GLYCOGEN SYNTHASE KINASE-3 BETA IN COMPLEX WITH 3-INDOLYL-4-ARYLMALEIMIDE INHIBITOR
Descriptor:Glycogen synthase kinase-3 beta, CITRATE ANION, 3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-PHENYL]-4-(5-FLUORO-1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE
Authors:Allard, J., Nikolcheva, T., Gong, L., Wang, J., Dunten, P., Avnur, Z., Waters, R., Sun, Q., Skinner, B.
Deposit date:2003-09-20
Release date:2004-10-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:From genetics to therapeutics: the Wnt pathway and osteoporosis
To be Published
1R78
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CDK2 COMPLEX WITH A 4-ALKYNYL OXINDOLE INHIBITOR
Descriptor:Cell division protein kinase 2, 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE
Authors:Luk, K.-C., Simcox, M.E., Schutt, A., Rowan, K., Thompson, T., Chen, Y., Kammlott, U., DePinto, W., Dunten, P., Dermatakis, A.
Deposit date:2003-10-20
Release date:2004-01-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A new series of potent oxindole inhibitors of CDK2
Bioorg.Med.Chem.Lett., 14, 2004
3DI6
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HIV-1 RT WITH PYRIDAZINONE NON-NUCLEOSIDE INHIBITOR
Descriptor:Reverse transcriptase/ribonuclease H, p51 RT, 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one
Authors:Harris, S.F., Villasenor, A., Dunten, P.
Deposit date:2008-06-19
Release date:2008-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 18, 2008
4WA8
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METHANOPYRUS KANDLERI FEN-1 NUCLEASE
Descriptor:Flap endonuclease 1, CHLORIDE ION
Authors:Shah, S., Dunten, P., Horton, N.C.
Deposit date:2014-08-28
Release date:2014-11-12
Last modified:2015-02-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and specificity of FEN-1 from Methanopyrus kandleri.
Proteins, 83, 2015
3EZW
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CRYSTAL STRUCTURE OF A HYPERACTIVE ESCHERICHIA COLI GLYCEROL KINASE MUTANT GLY230 --> ASP OBTAINED USING MICROFLUIDIC CRYSTALLIZATION DEVICES
Descriptor:Glycerol kinase, GLYCEROL, CHLORIDE ION, ...
Authors:Anderson, M.J., DeLaBarre, B., Dunten, P., Brunger, A.T., Quake, S.R.
Deposit date:2008-10-23
Release date:2008-11-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a hyperactive Escherichia coli glycerol kinase mutant Gly230 --> Asp obtained using microfluidic crystallization devices.
Biochemistry, 46, 2007
3FI4
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P38 KINASE CRYSTAL STRUCTURE IN COMPLEX WITH RO4499
Descriptor:Mitogen-activated protein kinase 14, (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol
Authors:Kuglstatter, A., Knapp, M., Dunten, P.
Deposit date:2008-12-10
Release date:2009-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published