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PDB: 19 results

2GMV
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BU of 2gmv by Molmil
PEPCK complex with a GTP-competitive inhibitor
Descriptor: MANGANESE (II) ION, N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE, PHOSPHOENOLPYRUVATE, ...
Authors:Dunten, P.
Deposit date:2006-04-07
Release date:2007-05-29
Last modified:2024-02-14
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
1G4K
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BU of 1g4k by Molmil
X-ray Structure of a Novel Matrix Metalloproteinase Inhibitor Complexed to Stromelysin
Descriptor: 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE, CALCIUM ION, GLYCEROL, ...
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:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of a novel matrix metalloproteinase inhibitor complexed to stromelysin.
Protein Sci., 10, 2001
1FPP
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BU of 1fpp by Molmil
PROTEIN FARNESYLTRANSFERASE COMPLEX WITH FARNESYL DIPHOSPHATE
Descriptor: FARNESYL DIPHOSPHATE, PHOSPHATE ION, PROTEIN FARNESYLTRANSFERASE, ...
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:2024-02-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Protein farnesyltransferase: structure and implications for substrate binding.
Biochemistry, 37, 1998
1DPP
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BU of 1dpp by Molmil
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:2024-10-30
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
1KHE
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BU of 1khe by Molmil
PEPCK complex with nonhydrolyzable GTP analog, MAD data
Descriptor: MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Phosphoenolpyruvate Carboxykinase, ...
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:2024-10-30
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
1KHB
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BU of 1khb by Molmil
PEPCK complex with nonhydrolyzable GTP analog, native data
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, 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:2024-02-14
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
1KHG
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BU of 1khg by Molmil
PEPCK
Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ...
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:2024-02-14
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
1KHF
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BU of 1khf by Molmil
PEPCK complex with PEP
Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ...
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:2024-02-14
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
4WA8
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BU of 4wa8 by Molmil
Methanopyrus Kandleri FEN-1 nuclease
Descriptor: CHLORIDE ION, Flap endonuclease 1
Authors:Shah, S, Dunten, P, Horton, N.C.
Deposit date:2014-08-28
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and specificity of FEN-1 from Methanopyrus kandleri.
Proteins, 83, 2015
1NHX
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BU of 1nhx by Molmil
PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR
Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE, ...
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:2024-02-14
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
1M51
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BU of 1m51 by Molmil
PEPCK complex with a GTP-competitive inhibitor
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, 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:2024-02-14
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
1R78
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BU of 1r78 by Molmil
CDK2 complex with a 4-alkynyl oxindole inhibitor
Descriptor: 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, Cell division protein kinase 2
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:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A new series of potent oxindole inhibitors of CDK2
Bioorg.Med.Chem.Lett., 14, 2004
1OZ1
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BU of 1oz1 by Molmil
P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR
Descriptor: 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14
Authors:Lovejoy, B, Villasenor, A, Browner, M, Dunten, P.
Deposit date:2003-04-07
Release date:2003-09-23
Last modified:2024-02-14
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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BU of 1c3i by Molmil
HUMAN STROMELYSIN-1 CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812
Descriptor: 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER, CALCIUM ION, STROMELYSIN-1, ...
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:2024-02-07
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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BU of 1c8t by Molmil
HUMAN STROMELYSIN-1 (E202Q) CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812
Descriptor: 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER, CALCIUM ION, STROMELYSIN-1, ...
Authors:Steele, D.L, el-Kabbani, O, Dunten, P, Crowther, R.L.
Deposit date:1999-07-29
Release date:2000-07-19
Last modified:2024-03-13
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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BU of 1r0e by Molmil
Glycogen synthase kinase-3 beta in complex with 3-indolyl-4-arylmaleimide inhibitor
Descriptor: 3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-PHENYL]-4-(5-FLUORO-1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE, CITRATE ANION, Glycogen synthase kinase-3 beta
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:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:From genetics to therapeutics: the Wnt pathway and osteoporosis
To be Published
3DI6
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BU of 3di6 by Molmil
HIV-1 RT with pyridazinone non-nucleoside inhibitor
Descriptor: 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Harris, S.F, Villasenor, A, Dunten, P.
Deposit date:2008-06-19
Release date:2008-08-19
Last modified:2024-02-21
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
3FI4
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BU of 3fi4 by Molmil
P38 kinase crystal structure in complex with RO4499
Descriptor: (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M, Dunten, P.
Deposit date:2008-12-10
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3EZW
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BU of 3ezw by Molmil
Crystal Structure of a Hyperactive Escherichia coli Glycerol Kinase Mutant Gly230 --> Asp Obtained Using Microfluidic Crystallization Devices
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
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:2023-09-06
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

227561

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