Author results

2SQC
  • Download 2sqc
  • View 2sqc
Molmil generated image of 2sqc
SQUALENE-HOPENE CYCLASE FROM ALICYCLOBACILLUS ACIDOCALDARIUS
Descriptor:SQUALENE-HOPENE CYCLASE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
Authors:Wendt, K.U., Schulz, G.E.
Deposit date:1998-08-02
Release date:1999-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of the membrane protein squalene-hopene cyclase at 2.0 A resolution.
J.Mol.Biol., 286, 1999
3SQC
  • Download 3sqc
  • View 3sqc
Molmil generated image of 3sqc
SQUALENE-HOPENE CYCLASE
Descriptor:SQUALENE--HOPENE CYCLASE
Authors:Wendt, K.U., Schulz, G.E.
Deposit date:1998-09-04
Release date:1999-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of the membrane protein squalene-hopene cyclase at 2.0 A resolution.
J.Mol.Biol., 286, 1999
1SQC
  • Download 1sqc
  • View 1sqc
Molmil generated image of 1sqc
SQUALENE-HOPENE-CYCLASE FROM ALICYCLOBACILLUS ACIDOCALDARIUS
Descriptor:SQUALENE-HOPENE CYCLASE, LAURYL DIMETHYLAMINE-N-OXIDE
Authors:Wendt, K.U., Schulz, G.E.
Deposit date:1997-09-01
Release date:1997-12-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and function of a squalene cyclase.
Science, 277, 1997
3CEH
  • Download 3ceh
  • View 3ceh
Molmil generated image of 3ceh
HUMAN LIVER GLYCOGEN PHOSPHORYLASE (TENSE STATE) IN COMPLEX WITH THE ALLOSTERIC INHIBITOR AVE5688
Descriptor:Glycogen phosphorylase, liver form, 1-N-ACETYL-BETA-D-GLUCOSAMINE, ...
Authors:Wendt, K.U., Dreyer, M.K., Anderka, O., Klabunde, T., Loenze, P., Defossa, E., Schmoll, D.
Deposit date:2008-02-29
Release date:2008-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors.
Biochemistry, 47, 2008
3CEJ
  • Download 3cej
  • View 3cej
Molmil generated image of 3cej
HUMAN GLYCOGEN PHOSPHORYLASE (TENSE STATE) IN COMPLEX WITH THE ALLOSTERIC INHIBITOR AVE2865
Descriptor:Glycogen phosphorylase, liver form, 1-N-ACETYL-BETA-D-GLUCOSAMINE, ...
Authors:Wendt, K.U., Dreyer, M.K., Anderka, O., Klabunde, T., Loenze, P., Defossa, E., Schmoll, D.
Deposit date:2008-02-29
Release date:2008-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors.
Biochemistry, 47, 2008
3CEM
  • Download 3cem
  • View 3cem
Molmil generated image of 3cem
HUMAN GLYCOGEN PHOSPHORYLASE (TENSE STATE) IN COMPLEX WITH THE ALLOSTERIC INHIBITOR AVE9423
Descriptor:Glycogen phosphorylase, liver form, 1-N-ACETYL-BETA-D-GLUCOSAMINE, ...
Authors:Wendt, K.U., Dreyer, M.K., Anderka, O., Klabunde, T., Loenze, P., Defossa, E., Schmoll, D.
Deposit date:2008-02-29
Release date:2008-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors.
Biochemistry, 47, 2008
1WUY
  • Download 1wuy
  • View 1wuy
Molmil generated image of 1wuy
CRYSTALLOGRAPHIC STUDIES ON ACYL UREAS, A NEW CLASS OF INHIBITORS OF GLYCOGEN PHOSPHORYLASE. BROAD SPECIFICITY OF THE ALLOSTERIC SITE
Descriptor:Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Oikonomakos, N.G., Kosmopoulou, M.N., Chrysina, E.D., Leonidas, D.D., Klabunde, T., Wendt, K.U., Defossa, E.
Deposit date:2004-12-09
Release date:2005-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
2ATI
  • Download 2ati
  • View 2ati
Molmil generated image of 2ati
GLYCOGEN PHOSPHORYLASE INHIBITORS
Descriptor:Glycogen phosphorylase, liver form, ALPHA-D-GLUCOSE, ...
Authors:Klabunde, T., Wendt, K.U., Kadereit, D., Brachvogel, V., Burger, H.J., Herling, A.W., Oikonomakos, N.G., Schmoll, D., Sarubbi, E., von Roedern, E., Schoenafinger, K., Defossa, E.
Deposit date:2005-08-25
Release date:2006-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Acyl ureas as human liver glycogen phosphorylase inhibitors for the treatment of type 2 diabetes.
J.Med.Chem., 48, 2005
1XUC
  • Download 1xuc
  • View 1xuc
Molmil generated image of 1xuc
MATRIX METALLOPROTEINASE-13 COMPLEXED WITH NON-ZINC BINDING INHIBITOR
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Engel, C.K., Wendt, K.U.
Deposit date:2004-10-26
Release date:2005-10-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the highly selective inhibition of MMP-13
Chem.Biol., 12, 2005
1XUD
  • Download 1xud
  • View 1xud
Molmil generated image of 1xud
MATRIX METALLOPROTEINASE-13 COMPLEXED WITH NON-ZINC BINDING INHIBITOR
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Engel, C.K., Wendt, K.U.
Deposit date:2004-10-26
Release date:2005-10-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the highly selective inhibition of MMP-13.
Chem.Biol., 12, 2005
1XUR
  • Download 1xur
  • View 1xur
Molmil generated image of 1xur
MATRIX METALLOPROTEINASE-13 COMPLEXED WITH NON-ZINC BINDING INHIBITOR
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Engel, C.K., Wendt, K.U.
Deposit date:2004-10-26
Release date:2005-10-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the highly selective inhibition of MMP-13.
Chem.Biol., 12, 2005
1WV0
  • Download 1wv0
  • View 1wv0
Molmil generated image of 1wv0
CRYSTALLOGRAPHIC STUDIES ON ACYL UREAS, A NEW CLASS OF INHIBITORS OF GLYCOGEN PHOSPHORYLASE. BROAD SPECIFICITY OF THE ALLOSTERIC SITE
Descriptor:Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Oikonomakos, N.G., Kosmopoulou, M.N., Chrysina, E.D., Leonidas, D.D., Klabunde, T., Wendt, K.U., Defossa, E.
Deposit date:2004-12-10
Release date:2005-12-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
1WV1
  • Download 1wv1
  • View 1wv1
Molmil generated image of 1wv1
CRYSTALLOGRAPHIC STUDIES ON ACYL UREAS, A NEW CLASS OF INHIBITORS OF GLYCOGENPHOSPHORYLASE. BROAD SPECIFICITY OF THE ALLOSTERIC SITE
Descriptor:Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Oikonomakos, N.G., Kosmopoulou, M.N., Chrysina, E.D., Leonidas, D.D., Klabunde, T., Wendt, K.U., Defossa, E.
Deposit date:2004-12-10
Release date:2005-12-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
1FL5
  • Download 1fl5
  • View 1fl5
Molmil generated image of 1fl5
THE UNLIGANDED GERMLINE PRECURSOR TO THE SULFIDE OXIDASE CATALYTIC ANTIBODY 28B4.
Descriptor:ANTIBODY GERMLINE PRECURSOR TO ANTIBODY 28B4, SULFATE ION
Authors:Yin, J., Mundorff, E.C., Yang, P.L., Wendt, K.U., Hanway, D., Stevens, R.C., Schultz, P.G.
Deposit date:2000-08-11
Release date:2001-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A comparative analysis of the immunological evolution of antibody 28B4.
Biochemistry, 40, 2001
1FL6
  • Download 1fl6
  • View 1fl6
Molmil generated image of 1fl6
THE HAPTEN COMPLEXED GERMLINE PRECURSOR TO SULFIDE OXIDASE CATALYTIC ANTIBODY 28B4
Descriptor:ANTIBODY GERMLINE PRECURSOR TO 28B4, 1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID
Authors:Yin, J., Mundorff, E.C., Yang, P.L., Wendt, K.U., Hanway, D., Stevens, R.C., Schultz, P.G.
Deposit date:2000-08-11
Release date:2001-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A comparative analysis of the immunological evolution of antibody 28B4.
Biochemistry, 40, 2001
1WUT
  • Download 1wut
  • View 1wut
Molmil generated image of 1wut
ACYL UREAS AS HUMAN LIVER GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES
Descriptor:Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Klabunde, T., Wendt, K.U., Kadereit, D., Brachvogel, V., Burger, H.-J., Herling, A.W., Oikonomakos, N.G., Kosmopoulou, M.N., Schmoll, D., Sarubbi, E., von Roedern, E., Schonafinger, K., Defossa, E.
Deposit date:2004-12-08
Release date:2005-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
3DND
  • Download 3dnd
  • View 3dnd
Molmil generated image of 3dnd
CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 5-benzyl-1,3-thiazol-2-amine
Authors:Schiffer, A., Wendt, K.U.
Deposit date:2008-07-02
Release date:2009-06-23
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystallography-independent determination of ligand binding modes
Angew.Chem.Int.Ed.Engl., 47, 2008
3DNE
  • Download 3dne
  • View 3dne
Molmil generated image of 3dne
CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 3-pyridin-4-yl-1H-indazole
Authors:Schiffer, A., Wendt, K.U.
Deposit date:2008-07-02
Release date:2009-06-23
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallography-independent determination of ligand binding modes
Angew.Chem.Int.Ed.Engl., 47, 2008
4YXR
  • Download 4yxr
  • View 4yxr
Molmil generated image of 4yxr
CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH INHIBITOR.
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 3-methyl-2H-indazole
Authors:Schiffer, A., Wendt, K.U.
Deposit date:2015-03-23
Release date:2015-05-27
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4YXS
  • Download 4yxs
  • View 4yxs
Molmil generated image of 4yxs
CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, N-BENZYL-9H-PURIN-6-AMINE
Authors:Schiffer, A., Wendt, K.U.
Deposit date:2015-03-23
Release date:2015-05-20
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
1GSZ
  • Download 1gsz
  • View 1gsz
Molmil generated image of 1gsz
CRYSTAL STRUCTURE OF A SQUALENE CYCLASE IN COMPLEX WITH THE POTENTIAL ANTICHOLESTEREMIC DRUG RO48-8071
Descriptor:SQUALENE--HOPENE CYCLASE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
Authors:Lenhart, A., Weihofen, W.A., Pleschke, A.E.W., Schulz, G.E.
Deposit date:2002-01-09
Release date:2003-01-16
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of a Squalene Cyclase in Complex with the Potential Anticholesteremic Drug Ro48-8071
Chem.Biol., 9, 2002
1UMP
  • Download 1ump
  • View 1ump
Molmil generated image of 1ump
GEOMETRY OF TRITERPENE CONVERSION TO PENTACARBOCYCLIC HOPENE
Descriptor:SQUALENE--HOPENE CYCLASE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-AZASQUALENE
Authors:Reinert, D.J., Balliano, G., Schulz, G.E.
Deposit date:2003-08-27
Release date:2004-02-03
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Conversion of Squalene to the Pentacarbocyclic Hopene
Chem.Biol., 11, 2004
1H35
  • Download 1h35
  • View 1h35
Molmil generated image of 1h35
STRUCTURES OF HUMAN OXIDOSQUALENE CYCLASE INHIBITORS BOUND TO AN HOMOLOGOUS ENZYME
Descriptor:SQUALENE--HOPENE CYCLASE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, (4'-{[ALLYL(METHYL)AMINO]METHYL}-1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE
Authors:Lenhart, A., Reinert, D.J., Weihofen, W.A., Aebi, J.D., Dehmlow, H., Morand, O.H., Schulz, G.E.
Deposit date:2002-08-24
Release date:2003-08-21
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
1H36
  • Download 1h36
  • View 1h36
Molmil generated image of 1h36
STRUCTURES OF HUMAN OXIDOSQUALENE CYCLASE INHIBITORS BOUND TO AN HOMOLOGOUS ENZYME
Descriptor:SQUALENE--HOPENE CYCLASE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE
Authors:Lenhart, A., Reinert, D.J., Weihofen, W.A., Aebi, J.D., Dehmlow, H., Morand, O.H., Schulz, G.E.
Deposit date:2002-08-24
Release date:2003-08-21
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
1H37
  • Download 1h37
  • View 1h37
Molmil generated image of 1h37
STRUCTURES OF HUMAN OXIDOSQUALENE CYCLASE INHIBITORS BOUND TO AN HOMOLOGOUS ENZYME
Descriptor:SQUALENE--HOPENE CYCLASE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE
Authors:Lenhart, A., Reinert, D.J., Weihofen, W.A., Aebi, J.D., Dehmlow, H., Morand, O.H., Schulz, G.E.
Deposit date:2002-08-24
Release date:2003-08-21
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
<12>