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PDB: 36 results

1RYC
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BU of 1ryc by Molmil
CYTOCHROME C PEROXIDASE W191G FROM SACCHAROMYCES CEREVISIAE
Descriptor: BENZIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fitzgerald, M.M, Musah, R, Mcree, D.E, Goodin, D.B.
Deposit date:1996-05-10
Release date:1996-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
2ER8
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BU of 2er8 by Molmil
Crystal Structure of Leu3 DNA-binding domain complexed with a 12mer DNA duplex
Descriptor: 5'-D(*CP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*G)-3', Regulatory protein LEU3, ZINC ION
Authors:Fitzgerald, M.X, Marmorstein, R.
Deposit date:2005-10-24
Release date:2006-04-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of a Leu3-DNA complex: recognition of everted CGG half-sites by a Zn2Cys6 binuclear cluster protein.
Structure, 14, 2006
2ERE
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BU of 2ere by Molmil
Crystal Structure of a Leu3 DNA-binding domain complexed with a 15mer DNA duplex
Descriptor: 5'-D(*TP*TP*GP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*CP*A)-3', Regulatory protein LEU3, ZINC ION
Authors:Fitzgerald, M.X, Marmorstein, R.
Deposit date:2005-10-24
Release date:2006-04-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of a Leu3-DNA complex: recognition of everted CGG half-sites by a Zn2Cys6 binuclear cluster protein.
Structure, 14, 2006
2ERG
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BU of 2erg by Molmil
Crystal Structure of Leu3 DNA-binding domain with a single H50C mutation complexed with a 15mer DNA duplex
Descriptor: 5'-D(*TP*TP*GP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*CP*A)-3', Regulatory protein LEU3, ZINC ION
Authors:Fitzgerald, M.X, Marmorstein, R.
Deposit date:2005-10-24
Release date:2006-04-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure of a Leu3-DNA complex: recognition of everted CGG half-sites by a Zn2Cys6 binuclear cluster protein.
Structure, 14, 2006
1CMT
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BU of 1cmt by Molmil
THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fitzgerald, M.M, Trester, M.L, Jensen, G.M, Mcree, D.E, Goodin, D.B.
Deposit date:1995-04-11
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of aspartate-235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase.
Protein Sci., 4, 1995
1CMU
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BU of 1cmu by Molmil
THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fitzgerald, M.M, Trester, M.L, Jensen, G.M, Mcree, D.E, Goodin, D.B.
Deposit date:1995-04-10
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of aspartate-235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase.
Protein Sci., 4, 1995
1CMQ
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BU of 1cmq by Molmil
SMALL MOLECULE BINDING TO AN ARTIFICIALLY CREATED CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fitzgerald, M.M, Mcree, D.E, Churchill, M.J, Goodin, D.B.
Deposit date:1993-11-23
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Small molecule binding to an artificially created cavity at the active site of cytochrome c peroxidase.
Biochemistry, 33, 1994
1CMP
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BU of 1cmp by Molmil
SMALL MOLECULE BINDING TO AN ARTIFICIALLY CREATED CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE
Descriptor: 2,3-DIMETHYLIMIDAZOLIUM ION, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fitzgerald, M.M, Mcree, D.E, Churchill, M.J, Goodin, D.B.
Deposit date:1993-11-23
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Small molecule binding to an artificially created cavity at the active site of cytochrome c peroxidase.
Biochemistry, 33, 1994
2GEQ
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BU of 2geq by Molmil
Crystal Structure of a p53 Core Dimer Bound to DNA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*GP*CP*GP*TP*GP*AP*GP*CP*AP*TP*GP*CP*TP*CP*AP*C)-3', Cellular tumor antigen p53, ...
Authors:Ho, W.C, Fitzgerald, M.X, Marmorstein, R.
Deposit date:2006-03-20
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the p53 Core Domain Dimer Bound to DNA.
J.Biol.Chem., 281, 2006
3COQ
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Structural Basis for Dimerization in DNA Recognition by Gal4
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*DAP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DAP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DTP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), ...
Authors:Hong, M, Fitzgerald, M.X, Harper, S, Luo, C, Speicher, D.W.
Deposit date:2008-03-29
Release date:2008-07-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for dimerization in DNA recognition by gal4.
Structure, 16, 2008
5A0C
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Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
Descriptor: (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A.
Deposit date:2015-04-17
Release date:2015-08-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
5A0B
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BU of 5a0b by Molmil
Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
Descriptor: (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A.
Deposit date:2015-04-17
Release date:2015-08-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
5A09
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BU of 5a09 by Molmil
Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
Descriptor: 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ...
Authors:vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A.
Deposit date:2015-04-17
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
5A0A
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BU of 5a0a by Molmil
Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ...
Authors:vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A.
Deposit date:2015-04-17
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
3CCX
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BU of 3ccx by Molmil
ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
Deposit date:1995-03-17
Release date:1995-07-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Altering substrate specificity at the heme edge of cytochrome c peroxidase.
Biochemistry, 35, 1996
4CCX
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BU of 4ccx by Molmil
ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
Deposit date:1995-03-17
Release date:1995-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Altering substrate specificity at the heme edge of cytochrome c peroxidase.
Biochemistry, 35, 1996
3R02
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BU of 3r02 by Molmil
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
Descriptor: 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
Authors:Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R.
Deposit date:2011-03-07
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3R04
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BU of 3r04 by Molmil
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
Descriptor: 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
Authors:Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R.
Deposit date:2011-03-07
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
2IOI
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BU of 2ioi by Molmil
Crystal structure of the mouse p53 core domain at 1.55 A
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular tumor antigen p53, ZINC ION
Authors:Ho, W.C, Luo, C, Zhao, K, Chai, X, Fitzgerald, M.X, Marmorstein, R.
Deposit date:2006-10-10
Release date:2006-12-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
Acta Crystallogr.,Sect.D, 62, 2006
2IOM
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BU of 2iom by Molmil
Mouse p53 core domain soaked with 2-propanol
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular tumor antigen p53, ISOPROPYL ALCOHOL, ...
Authors:Ho, W.C, Luo, C, Zhao, K, Chai, X, Fitzgerald, M.X, Marmorstein, R.
Deposit date:2006-10-10
Release date:2006-12-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2IOO
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BU of 2ioo by Molmil
Crystal structure of the mouse p53 core domain
Descriptor: Cellular tumor antigen p53, ZINC ION
Authors:Ho, W.C, Luo, C, Zhao, K, Chai, X, Fitzgerald, M.X, Marmorstein, R.
Deposit date:2006-10-10
Release date:2006-12-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
Acta Crystallogr.,Sect.D, 62, 2006
1AEU
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BU of 1aeu by Molmil
SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE)
Descriptor: 2-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-25
Release date:1997-09-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
1AES
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BU of 1aes by Molmil
SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (IMIDAZOLE)
Descriptor: CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-25
Release date:1997-09-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
1AA4
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BU of 1aa4 by Molmil
SPECIFICITY OF LIGAND BINDING IN A BURIED POLAR CAVITY OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
Deposit date:1997-01-22
Release date:1997-07-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
1AEV
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BU of 1aev by Molmil
INTRODUCTION OF NOVEL SUBSTRATE OXIDATION INTO CYTOCHROME C PEROXIDASE BY CAVITY COMPLEMENTATION: OXIDATION OF 2-AMINOTHIAZOLE AND COVALENT MODIFICATION OF THE ENZYME (2-AMINOTHIAZOLE)
Descriptor: 2-AMINOTHIAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Fitzgerald, M.M, Jensen, G.M, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-25
Release date:1997-09-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Introduction of novel substrate oxidation into cytochrome c peroxidase by cavity complementation: oxidation of 2-aminothiazole and covalent modification of the enzyme.
Biochemistry, 36, 1997

 

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