Author results

2JBO
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PROTEIN KINASE MK2 IN COMPLEX WITH AN INHIBITOR (CRYSTAL FORM-1, SOAKING)
Descriptor:MAP KINASE-ACTIVATED PROTEIN KINASE 2, PHOSPHATE ION, 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Authors:Hillig, R.C., Eberspaecher, U., Monteclaro, F., Huber, M., Nguyen, D., Mengel, A., Muller-Tiemann, B., Egner, U.
Deposit date:2006-12-09
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for a High Affinity Inhibitor Bound to Protein Kinase Mk2.
J.Mol.Biol., 369, 2007
2JBP
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PROTEIN KINASE MK2 IN COMPLEX WITH AN INHIBITOR (CRYSTAL FORM-2, CO- CRYSTALLIZATION)
Descriptor:MAP KINASE-ACTIVATED PROTEIN KINASE 2, 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Authors:Hillig, R.C., Eberspaecher, U., Monteclaro, F., Huber, M., Nguyen, D., Mengel, A., Muller-Tiemann, B., Egner, U.
Deposit date:2006-12-09
Release date:2007-03-20
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structural basis for a high affinity inhibitor bound to protein kinase MK2.
J. Mol. Biol., 369, 2007
2V5Q
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CRYSTAL STRUCTURE OF WILD-TYPE PLK-1 KINASE DOMAIN IN COMPLEX WITH A SELECTIVE DARPIN
Descriptor:SERINE/THREONINE-PROTEIN KINASE PLK1, DESIGN ANKYRIN REPEAT PROTEIN
Authors:Bandeiras, T.M., Hillig, R.C., Matias, P.M., Eberspaecher, U., Fanghaenel, J., Thomaz, M., Miranda, S., Crusius, K., Puetter, V., Amstutz, P., Gulotti-Georgieva, M., Binz, H.K., Holz, C., Schmitz, A.A.P., Lang, C., Donner, P., Egner, U., Carrondo, M.A., Mueller-Tiemann, B.
Deposit date:2007-07-08
Release date:2008-04-01
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of wild-type Plk-1 kinase domain in complex with a selective DARPin.
Acta Crystallogr. D Biol. Crystallogr., 64, 2008
1E3G
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HUMAN ANDROGEN RECEPTOR LIGAND BINDING IN COMPLEX WITH THE LIGAND METRIBOLONE (R1881)
Descriptor:ANDROGEN RECEPTOR, (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE
Authors:Matias, P.M., Donner, P., Coelho, R., Thomaz, M., Peixoto, C., Macedo, S., Otto, N., Joschko, S., Scholz, P., Wegg, A., Basler, S., Schafer, M., Ruff, M., Egner, U., Carrondo, M.A.
Deposit date:2000-06-14
Release date:2001-06-14
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural evidence for ligand specificity in the binding domain of the human androgen receptor. Implications for pathogenic gene mutations.
J. Biol. Chem., 275, 2000
1E3K
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HUMAN PROGESTERON RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH THE LIGAND METRIBOLONE (R1881)
Descriptor:PROGESTERONE RECEPTOR, (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE
Authors:Matias, P.M., Donner, P., Coelho, R., Thomaz, M., Peixoto, C., Macedo, S., Otto, N., Joschko, S., Scholz, P., Wegg, A., Basler, S., Schafer, M., Egner, U., Carrondo, M.A.
Deposit date:2000-06-19
Release date:2001-06-14
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural evidence for ligand specificity in the binding domain of the human androgen receptor. Implications for pathogenic gene mutations.
J. Biol. Chem., 275, 2000
1GS4
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STRUCTURAL BASIS FOR THE GLUCOCORTICOID RESPONSE IN A MUTANT HUMAN ANDROGEN RECEPTOR (ARCCR) DERIVED FROM AN ANDROGEN-INDEPENDENT PROSTATE CANCER
Descriptor:ANDROGEN RECEPTOR, 9ALPHA-FLUOROCORTISOL, PHOSPHATE ION
Authors:Matias, P.M., Carrondo, M.A., Coelho, R., Thomaz, M., Zhao, X.-Y., Wegg, A., Crusius, K., Egner, U., Donner, P.
Deposit date:2001-12-27
Release date:2003-01-16
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for the Glucocorticoid Response in a Mutant Human Androgen Receptor (Ar(Ccr)) Derived from an Androgen-Independent Prostate Cancer
J.Med.Chem., 45, 2002
5EGS
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HUMAN PRMT6 WITH BOUND FRAGMENT-TYPE INHIBITOR
Descriptor:Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine
Authors:Steuber, H., Egner, U., Kania, J., Wu, H., Brown, P.J.
Deposit date:2015-10-27
Release date:2016-02-03
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor.
J.Med.Chem., 59, 2016
4UF0
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CRYSTAL STRUCTURE OF JMJC DOMAIN OF HUMAN HISTONE DEMETHYLASE UTY IN COMPLEX WITH EPITHERAPUETIC COMPOUND 2-(((2-((2-(DIMETHYLAMINO)ETHYL) (ETHYL)AMINO)-2-OXOETHYL)AMINO)METHYL)ISONICOTINIC ACID.
Descriptor:HISTONE DEMETHYLASE UTY, FE (II) ION, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, ...
Authors:Srikannathasan, V., Johansson, C., Gileadi, C., Tobias, K., Kopec, J., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.
Deposit date:2014-12-22
Release date:2015-01-14
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A1F
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF PLU1 IN COMPLEX WITH N-OXALYLGLYCINE.
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, N-OXALYLGLYCINE, ...
Authors:Srikannathasan, V., Johansson, C., Strain-Damerell, C., Gileadi, C., Szykowska, A., Kupinska, K., Kopec, J., Krojer, T., Steuber, H., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2015-04-29
Release date:2015-05-06
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A3P
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN PLU1 (JARID1B).
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Srikannathasan, V., Johansson, C., Gileadi, C., Tallant, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2015-06-02
Release date:2015-06-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A3T
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CRYSTAL STRUCTURE OF HUMAN PLU-1 (JARID1B) IN COMPLEX WITH KDM5-C49 (2-(((2-((2-(DIMETHYLAMINO)ETHYL)(ETHYL)AMINO)-2-OXOETHYL)AMINO)METHYL) ISONICOTINIC ACID).
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Srikannathasan, V., Johansson, C., Gileadi, C., Kopec, J., Strain-Damerell, C., Kupinska, K., BurgessBrown, N.A., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2015-06-02
Release date:2015-06-17
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A3W
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CRYSTAL STRUCTURE OF HUMAN PLU-1 (JARID1B) IN COMPLEX WITH PYRIDINE-2, 6-DICARBOXYLIC ACID (PDCA)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, SODIUM ION, ...
Authors:Srikannathasan, V., Johansson, C., Gileadi, C., Kopec, J., Strain-Damerell, C., Kupinska, K., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2015-06-03
Release date:2015-06-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FPU
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CRYSTAL STRUCTURE OF HUMAN JARID1B IN COMPLEX WITH GSKJ1
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, ...
Authors:Srikannathasan, V., Nowak, R., Johansson, C., Gileadi, C., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.
Deposit date:2015-12-03
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FPV
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND KDOAM20A
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, ...
Authors:Srikannathasan, V., Gileadi, C., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.
Deposit date:2015-12-03
Release date:2016-01-13
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FUN
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CRYSTAL STRUCTURE OF HUMAN JARID1B IN COMPLEX WITH GSK467
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, 2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one, ...
Authors:Srikannathasan, V., Johansson, C., Gileadi, C., Kopec, J., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Brennan, P., Oppermann, U.
Deposit date:2016-01-28
Release date:2016-04-13
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FUP
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CRYSTAL STRUCTURE OF HUMAN JARID1B IN COMPLEX WITH 2-OXOGLUTARATE.
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Srikannathasan, V., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., Talon, R., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2016-01-28
Release date:2016-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FV3
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CRYSTAL STRUCTURE OF HUMAN JARID1B CONSTRUCT C2 IN COMPLEX WITH N- OXALYLGLYCINE.
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R., Srikannathasan, V., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., Talon, R., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2016-02-02
Release date:2016-02-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FWJ
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CRYSTAL STRUCTURE OF HUMAN JARID1C IN COMPLEX WITH KDM5-C49
Descriptor:HISTONE DEMETHYLASE JARID1C, MAGNESIUM ION, ZINC ION, ...
Authors:Srikannathasan, V., Szykowska, A., Strain-Damerell, C., Kopec, J., Nowak, R., Gileadi, C., Johansson, C., Kupinska, K., Burgess-Brown, N.A., Shrestha, L., Dong, W., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Huber, K., Oppermann, U.
Deposit date:2016-02-17
Release date:2016-04-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
1AKY
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HIGH-RESOLUTION STRUCTURES OF ADENYLATE KINASE FROM YEAST LIGATED WITH INHIBITOR AP5A, SHOWING THE PATHWAY OF PHOSPHORYL TRANSFER
Descriptor:ADENYLATE KINASE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, IMIDAZOLE
Authors:Abele, U., Schulz, G.E.
Deposit date:1995-07-28
Release date:1995-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:High-resolution structures of adenylate kinase from yeast ligated with inhibitor Ap5A, showing the pathway of phosphoryl transfer.
Protein Sci., 4, 1995
2AKY
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HIGH-RESOLUTION STRUCTURES OF ADENYLATE KINASE FROM YEAST LIGATED WITH INHIBITOR AP5A, SHOWING THE PATHWAY OF PHOSPHORYL TRANSFER
Descriptor:ADENYLATE KINASE, MAGNESIUM ION, BIS(ADENOSINE)-5'-PENTAPHOSPHATE
Authors:Abele, U., Schulz, G.E.
Deposit date:1995-07-28
Release date:1995-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:High-resolution structures of adenylate kinase from yeast ligated with inhibitor Ap5A, showing the pathway of phosphoryl transfer.
Protein Sci., 4, 1995
3AKY
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STABILITY, ACTIVITY AND STRUCTURE OF ADENYLATE KINASE MUTANTS
Descriptor:ADENYLATE KINASE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, IMIDAZOLE
Authors:Abele, U., Schulz, G.E.
Deposit date:1995-07-28
Release date:1995-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Stability, activity and structure of adenylate kinase mutants.
Eur.J.Biochem., 231, 1995
1DVR
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STRUCTURE OF A MUTANT ADENYLATE KINASE LIGATED WITH AN ATP-ANALOGUE SHOWING DOMAIN CLOSURE OVER ATP
Descriptor:ADENYLATE KINASE, PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Schlauderer, G.J., Schulz, G.E.
Deposit date:1995-12-14
Release date:1996-04-03
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure of a mutant adenylate kinase ligated with an ATP-analogue showing domain closure over ATP.
J.Mol.Biol., 256, 1996
1CL1
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CYSTATHIONINE BETA-LYASE (CBL) FROM ESCHERICHIA COLI
Descriptor:CYSTATHIONINE BETA-LYASE, BICARBONATE ION
Authors:Clausen, T., Huber, R., Messerschmidt, A.
Deposit date:1997-09-02
Release date:1998-09-09
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of the pyridoxal-5'-phosphate dependent cystathionine beta-lyase from Escherichia coli at 1.83 A.
J.Mol.Biol., 262, 1996