1MD6
 
 | | High resolution crystal structure of murine IL-1F5 reveals unique loop conformation for specificity | | Descriptor: | interleukin 1 family, member 5 (delta) | | Authors: | Pei, X.Y, Dunn, E.F, Gay, N.J, O'Neill, L.A. | | Deposit date: | 2002-08-07 | | Release date: | 2003-09-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-Resolution Structure of Murine Interleukin 1 Homologue IL-1F5 Reveals Unique Loop Conformations for Receptor Binding Specificity.
Biochemistry, 42, 2003
|
|
1MJV
 | | DISULFIDE DEFICIENT MUTANT OF VASCULAR ENDOTHELIAL GROWTH FACTOR A (C51A and C60A) | | Descriptor: | Vascular Endothelial Growth Factor A | | Authors: | Muller, Y.A, Heiring, C, Misselwitz, R, Welfle, K, Welfle, H. | | Deposit date: | 2002-08-28 | | Release date: | 2002-12-11 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The cystine knot promotes folding and not thermodynamic stability in vascular endothelial growth factor
J.Biol.Chem., 277, 2002
|
|
4X3A
 | |
4X37
 | |
4MI6
 | | Crystal structure of Gpb in complex with SUGAR (N-[4-(5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)BUTANOYL]-BETA-D-GLUCOPYRANOSYLAMINE) | | Descriptor: | Glycogen phosphorylase, muscle form, N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-D-glucopyranosylamine | | Authors: | Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D. | | Deposit date: | 2013-08-30 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
|
|
4MHS
 | | Crystal structure of Gpb in complex with SUGAR (N-[(2E)-3-(BIPHENYL-4-YL)PROP-2-ENOYL]-BETA-D-GLUCOPYRANOSYLAMINE | | Descriptor: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | | Authors: | Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D. | | Deposit date: | 2013-08-30 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
|
|
4LPH
 | | Crystal structure of human FPPS in complex with CL03093 | | Descriptor: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION | | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-07-16 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
|
|
4MI3
 | | Crystal structure of Gpb in complex with SUGAR (N-{(2R)-2-METHYL-3-[4-(PROPAN-2-YL)PHENYL]PROPANOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S21) | | Descriptor: | Glycogen phosphorylase, muscle form, N-{(2R)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-D-glucopyranosylamine | | Authors: | Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D. | | Deposit date: | 2013-08-30 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
|
|
4DXJ
 | | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-propylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2012-02-27 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
|
|
3KRF
 | | Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (I) | | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ... | | Authors: | Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J. | | Deposit date: | 2009-11-18 | | Release date: | 2010-02-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
|
|
5E8K
 | | Crystal structure of polyprenyl pyrophosphate synthase 2 from Arabidopsis thaliana | | Descriptor: | Geranylgeranyl pyrophosphate synthase 10, mitochondrial | | Authors: | Wang, C, Chen, Q, Fan, D, Li, J, Wang, G, Zhang, P. | | Deposit date: | 2015-10-14 | | Release date: | 2015-11-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.028 Å) | | Cite: | Structural Analyses of Short-Chain Prenyltransferases Identify an Evolutionarily Conserved GFPPS Clade in Brassicaceae Plants.
Mol Plant, 9, 2016
|
|
3KRC
 | | Mint heterotetrameric geranyl pyrophosphate synthase in complex with IPP | | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyl diphosphate synthase large subunit, ... | | Authors: | Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J. | | Deposit date: | 2009-11-18 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
|
|
3KRP
 | | Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium and GPP | | Descriptor: | 1,2-ETHANEDIOL, GERANYL DIPHOSPHATE, Geranyl diphosphate synthase large subunit, ... | | Authors: | Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J. | | Deposit date: | 2009-11-19 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
|
|
5ERO
 | |
4DWG
 | | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-heptylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Farnesyl pyrophosphate synthase, ... | | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2012-02-24 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
|
|
4E1E
 | | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-hexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2012-03-06 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
|
|
3KRA
 | | Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium | | Descriptor: | 1,2-ETHANEDIOL, Geranyl diphosphate synthase large subunit, Geranyl diphosphate synthase small subunit, ... | | Authors: | Chang, T.-H, Ko, T.-P, Hsieh, F.-L, Wang, A.H.-J. | | Deposit date: | 2009-11-18 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
|
|
3KRO
 | | Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (II) | | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ... | | Authors: | Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J. | | Deposit date: | 2009-11-19 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
|
|
4EL5
 | | Crystal structure of GPb in complex with DK12 | | Descriptor: | 5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2012-04-10 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
|
|
5ERN
 | |
3T3I
 | | Glycogen Phosphorylase b in complex with GlcCF3U | | Descriptor: | 1-(beta-D-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2011-07-25 | | Release date: | 2012-02-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b
Chemmedchem, 7, 2012
|
|
3SYR
 | | Glycogen phosphorylase b in complex with beta-D-glucopyranonucleoside 5-fluorouracil | | Descriptor: | 5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | Authors: | Skamnaki, V.T, Kantsadi, A.L, Kontou, M, Leonidas, D.D. | | Deposit date: | 2011-07-18 | | Release date: | 2012-02-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 3'-Axial CH(2) OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why.
Chem.Biol.Drug Des., 79, 2012
|
|
3SYM
 | | Glycogen Phosphorylase b in complex with 3 -C-(hydroxymethyl)-beta-D-glucopyranonucleoside of 5-fluorouracil | | Descriptor: | 5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | Authors: | Skamnaki, V.T, Katsandi, A.L, Kontou, M, Leonidas, D.D. | | Deposit date: | 2011-07-18 | | Release date: | 2012-02-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 3'-Axial CH(2) OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why.
Chem.Biol.Drug Des., 79, 2012
|
|
3T3G
 | | Glycogen Phosphorylase b in complex with GlcBrU | | Descriptor: | 5-bromo-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2011-07-25 | | Release date: | 2012-02-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b
Chemmedchem, 7, 2012
|
|
3T3E
 | | Glycogen phosphorylase b in complex with GlcClU | | Descriptor: | 5-chloro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2011-07-25 | | Release date: | 2012-02-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b
Chemmedchem, 7, 2012
|
|
