3SQC
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![BU of 3sqc by Molmil](/molmil-images/mine/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: | 2024-05-22 | 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
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2SQC
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1SQC
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3CEJ
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![BU of 3cej by Molmil](/molmil-images/mine/3cej) | Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE2865 | Descriptor: | 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid, Glycogen phosphorylase, liver form, ... | 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: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
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3CEM
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![BU of 3cem by Molmil](/molmil-images/mine/3cem) | Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE9423 | Descriptor: | 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Glycogen phosphorylase, liver form, ... | 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: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
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3CEH
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![BU of 3ceh by Molmil](/molmil-images/mine/3ceh) | Human liver glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE5688 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid, Glycogen phosphorylase, ... | 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: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
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4YXS
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![BU of 4yxs by Molmil](/molmil-images/mine/4yxs) | CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24 | Descriptor: | N-BENZYL-9H-PURIN-6-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 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
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4YXR
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![BU of 4yxr by Molmil](/molmil-images/mine/4yxr) | CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor. | Descriptor: | 3-methyl-2H-indazole, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 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
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3DNE
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![BU of 3dne by Molmil](/molmil-images/mine/3dne) | cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 | Descriptor: | 3-pyridin-4-yl-1H-indazole, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 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
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3DND
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![BU of 3dnd by Molmil](/molmil-images/mine/3dnd) | cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 | Descriptor: | 5-benzyl-1,3-thiazol-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 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
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1WV0
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![BU of 1wv0 by Molmil](/molmil-images/mine/1wv0) | Crystallographic studies on acyl ureas, a new class of inhibitors of glycogen phosphorylase. Broad specificity of the allosteric site | Descriptor: | 4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2,3-DIMETHYLPHENOXY]BUTANOIC ACID, Glycogen phosphorylase, muscle form, ... | 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
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1WV1
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![BU of 1wv1 by Molmil](/molmil-images/mine/1wv1) | Crystallographic studies on acyl ureas, a new class of inhibitors of glycogenphosphorylase. Broad specificity of the allosteric site | Descriptor: | 5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2-METHYLPHENOXY]PENTANOIC ACID, Glycogen phosphorylase, muscle form, ... | 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
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1FL6
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![BU of 1fl6 by Molmil](/molmil-images/mine/1fl6) | THE HAPTEN COMPLEXED GERMLINE PRECURSOR TO SULFIDE OXIDASE CATALYTIC ANTIBODY 28B4 | Descriptor: | 1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID, ANTIBODY GERMLINE PRECURSOR TO 28B4 | 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
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1FL5
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![BU of 1fl5 by Molmil](/molmil-images/mine/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
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1WUY
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![BU of 1wuy by Molmil](/molmil-images/mine/1wuy) | Crystallographic studies on acyl ureas, a new class of inhibitors of glycogen phosphorylase. Broad specificity of the allosteric site | Descriptor: | 4-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACID, Glycogen phosphorylase, muscle form, ... | 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
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2ATI
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![BU of 2ati by Molmil](/molmil-images/mine/2ati) | Glycogen Phosphorylase Inhibitors | Descriptor: | Glycogen phosphorylase, liver form, N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA, ... | 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: | 2020-07-29 | 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
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1WUT
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![BU of 1wut by Molmil](/molmil-images/mine/1wut) | Acyl Ureas as Human Liver Glycogen Phosphorylase Inhibitors for the Treatment of Type 2 Diabetes | Descriptor: | 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID, Glycogen phosphorylase, muscle form, ... | 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
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1XUC
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![BU of 1xuc by Molmil](/molmil-images/mine/1xuc) | Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor | Descriptor: | CALCIUM ION, Collagenase 3, N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE, ... | Authors: | Engel, C.K, Wendt, K.U. | Deposit date: | 2004-10-26 | Release date: | 2005-10-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for the highly selective inhibition of MMP-13 Chem.Biol., 12, 2005
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1XUD
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![BU of 1xud by Molmil](/molmil-images/mine/1xud) | Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor | Descriptor: | CALCIUM ION, Collagenase 3, N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE, ... | Authors: | Engel, C.K, Wendt, K.U. | Deposit date: | 2004-10-26 | Release date: | 2005-10-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the highly selective inhibition of MMP-13. Chem.Biol., 12, 2005
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1XUR
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![BU of 1xur by Molmil](/molmil-images/mine/1xur) | Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor | Descriptor: | CALCIUM ION, Collagenase 3, N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE, ... | Authors: | Engel, C.K, Wendt, K.U. | Deposit date: | 2004-10-26 | Release date: | 2005-10-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for the highly selective inhibition of MMP-13. Chem.Biol., 12, 2005
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3LFS
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![BU of 3lfs by Molmil](/molmil-images/mine/3lfs) | Crystal structure of CDK2 with SAR37, an aminoindazole type inhibitor | Descriptor: | Cell division protein kinase 2, N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide | Authors: | Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. | Deposit date: | 2010-01-18 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg.Med.Chem.Lett., 20, 2010
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3LFQ
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![BU of 3lfq by Molmil](/molmil-images/mine/3lfq) | Crystal structure of CDK2 with SAR60, an aminoindazole type inhibitor | Descriptor: | Cell division protein kinase 2, N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide | Authors: | Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. | Deposit date: | 2010-01-18 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg.Med.Chem.Lett., 20, 2010
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3LFN
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![BU of 3lfn by Molmil](/molmil-images/mine/3lfn) | Crystal structure of CDK2 with SAR57, an aminoindazole type inhibitor | Descriptor: | Cell division protein kinase 2, N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide | Authors: | Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. | Deposit date: | 2010-01-18 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg.Med.Chem.Lett., 20, 2010
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