Author results

1GHU
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NMR SOLUTION STRUCTURE OF GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2 (GRB2) SH2 DOMAIN, 24 STRUCTURES
Descriptor:GRB2
Authors:Thornton, K.H., Mueller, W.T., Mcconnell, P., Zhu, G., Saltiel, A.R., Thanabal, V.
Deposit date:1996-08-05
Release date:1997-01-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance solution structure of the growth factor receptor-bound protein 2 Src homology 2 domain.
Biochemistry, 35, 1996
2OZR
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MMP13 CATALYTIC DOMAIN COMPLEXED WITH 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Johnson, A.R., Pavlovsky, A.G., Ortwine, D.F., Prior, F., Man, C.-F., Bornemeier, D.A., Banotai, C.A., Mueller, W.T., McConnell, P., Yan, C.H., Baragi, V., Lesch, C., Roark, W.H., Lie, J.J., Fasquelle, V., Wilson, M., Robertson, D., Datta, K., Guzman, R., Han, H.-K., Dyer, R.D.
Deposit date:2007-02-27
Release date:2007-07-24
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.
J.Biol.Chem., 282, 2007
1BKL
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SELF-ASSOCIATED APO SRC SH2 DOMAIN
Descriptor:PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN
Authors:Holland, D.R., Rubin, J.R.
Deposit date:1997-05-02
Release date:1997-07-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel Pp60Src Sh2 Domain Crystal Structures: A 2.0 Angstrom Co-Crystal Structure of a D-Amino Acid Substituted Phosphopeptide Complex and a 2.1 Angstrom Apo Structure Displaying Self-Association
To be Published
1BKM
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COCRYSTAL STRUCTURE OF D-AMINO ACID SUBSTITUTED PHOSPHOPEPTIDE COMPLEX
Descriptor:PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN, [[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE
Authors:Holland, D.R., Rubin, J.R.
Deposit date:1997-05-02
Release date:1997-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of a Novel Series of Nonpeptide Ligands that Bind to the Pp60Src Sh2 Domain
J.Am.Chem.Soc., 119, 1997
1S9I
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X-RAY STRUCTURE OF THE HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE 2 (MEK2)IN A COMPLEX WITH LIGAND AND MGATP
Descriptor:Dual specificity mitogen-activated protein kinase kinase 2, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Ohren, J.F., Chen, H., Pavlovsky, A., Whitehead, C., Yan, C., McConnell, P., Delaney, A., Dudley, D.T., Sebolt-Leopold, J., Hasemann, C.A.
Deposit date:2004-02-04
Release date:2004-11-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition.
Nat.Struct.Mol.Biol., 11, 2004
1S9J
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X-RAY STRUCTURE OF THE HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) IN A COMPLEX WITH LIGAND AND MGATP
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Ohren, J.F., Chen, H., Pavlovsky, A., Whitehead, C., Yan, C., McConnell, P., Delaney, A., Dudley, D.T., Sebolt-Leopold, J., Hasemann, C.A.
Deposit date:2004-02-04
Release date:2004-11-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition.
Nat.Struct.Mol.Biol., 11, 2004
1SKJ
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COCRYSTAL STRUCTURE OF UREA-SUBSTITUTED PHOSPHOPEPTIDE COMPLEX
Descriptor:PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN, 4-[3-CARBOXYMETHYL-3-(4-PHOSPHONOOXY-BENZYL)-UREIDO]-4-[(3-CYCLOHEXYL-PROPYL)-METHYL-CARBAMOYL]BUTYRIC ACID
Authors:Holland, D.R., Rubin, J.R.
Deposit date:1997-09-18
Release date:1998-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and cocrystal structure of a nonpeptide Src SH2 domain ligand.
J.Med.Chem., 40, 1997
2ABJ
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CRYSTAL STRUCTURE OF HUMAN BRANCHED CHAIN AMINO ACID TRANSAMINASE IN A COMPLEX WITH AN INHIBITOR, C16H10N2O4F3SCL, AND PYRIDOXAL 5' PHOSPHATE.
Descriptor:Branched-chain-amino-acid aminotransferase, cytosolic, N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE, ...
Authors:Ohren, J.F., Moreland, D.W., Rubin, J.R., Hu, H.L., McConnell, P.C., Mistry, A., Mueller, W.T., Scholten, J.D., Hasemann, C.H.
Deposit date:2005-07-15
Release date:2006-06-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The design and synthesis of human branched-chain amino acid aminotransferase inhibitors for treatment of neurodegenerative diseases.
Bioorg.Med.Chem.Lett., 16, 2006
2OW9
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CRYSTAL STRUCTURE ANALYSIS OF THE MMP13 CATALYTIC DOMAIN IN COMPLEX WITH SPECIFIC INHIBITOR
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Pavlovsky, A.G.
Deposit date:2007-02-15
Release date:2007-02-27
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.
J.Biol.Chem., 282, 2007
2V58
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 1
Descriptor:BIOTIN CARBOXYLASE, 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine, CHLORIDE ION
Authors:Mochalkin, I., Miller, J.R.
Deposit date:2008-10-02
Release date:2009-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
2V59
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 2
Descriptor:BIOTIN CARBOXYLASE, 6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE
Authors:Mochalkin, I., Miller, J.R.
Deposit date:2008-10-02
Release date:2009-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
2V5A
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 3
Descriptor:BIOTIN CARBOXYLASE, 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine, CHLORIDE ION
Authors:Mochalkin, I., Miller, J.R.
Deposit date:2008-10-02
Release date:2009-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
3DNG
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A NON-ZINC CHELATING INHIBITOR
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Pochetti, G., Montanari, R., Mazza, F.
Deposit date:2008-07-02
Release date:2009-03-03
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
3DPE
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A NON-ZINC CHELATING INHIBITOR
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Pochetti, G., Montanari, R., Mazza, F.
Deposit date:2008-07-08
Release date:2009-03-03
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
3DPF
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A NON-ZINC CHELATING INHIBITOR
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Pochetti, G., Montanari, R., Mazza, F.
Deposit date:2008-07-08
Release date:2009-03-03
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
3DY7
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X-RAY STRUCTURE OF THE HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) IN A COMPLEX WITH LIGAND AND MGATP
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Ohren, J.F., Pavlovsky, A., Zhang, E.
Deposit date:2008-07-25
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
3EQB
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X-RAY STRUCTURE OF THE HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) IN A COMPLEX WITH LIGAND AND MGATP
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ohren, J.F., Pavlovsky, A., Zhang, E.
Deposit date:2008-09-30
Release date:2008-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase).
Bioorg.Med.Chem.Lett., 18, 2008