8DEG
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![BU of 8deg by Molmil](/molmil-images/mine/8deg) | Crystal structure of DLK in complex with inhibitor DN0011197 | Descriptor: | Mitogen-activated protein kinase kinase kinase 12, methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | Authors: | Srivastava, A, Lexa, K, de Vicente, J. | Deposit date: | 2022-06-20 | Release date: | 2022-12-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Discovery of Potent and Selective Dual Leucine Zipper Kinase/Leucine Zipper-Bearing Kinase Inhibitors with Neuroprotective Properties in In Vitro and In Vivo Models of Amyotrophic Lateral Sclerosis. J.Med.Chem., 65, 2022
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1JR2
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![BU of 1jr2 by Molmil](/molmil-images/mine/1jr2) | Structure of Uroporphyrinogen III Synthase | Descriptor: | UROPORPHYRINOGEN-III SYNTHASE | Authors: | Mathews, M.A, Schubert, H.L, Whitby, F.G, Alexander, K.J, Schadick, K, Bergonia, H.A, Phillips, J.D, Hill, C.P. | Deposit date: | 2001-08-10 | Release date: | 2001-11-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of human uroporphyrinogen III synthase. EMBO J., 20, 2001
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3ZCU
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![BU of 3zcu by Molmil](/molmil-images/mine/3zcu) | Rabbit muscle glycogen phosphorylase b in complex with N-(pyridyl-2- carbonyl)-N-beta-D-glucopyranosyl urea determined at 2.05 A resolution | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, ... | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2012-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents To be Published
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3ZCP
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![BU of 3zcp by Molmil](/molmil-images/mine/3zcp) | Rabbit muscle glycogen phosphorylase b in complex with N- cyclohexancarbonyl-N-beta-D-glucopyranosyl urea determined at 1.83 A resolution | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, ... | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2012-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents To be Published
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3EUV
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![BU of 3euv by Molmil](/molmil-images/mine/3euv) | Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10, W102T, Y154T) in complex with BiotinGPP | Descriptor: | (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ... | Authors: | Guo, Z, Nguyen, U.T.T, Delon, C, Bon, R.S, Blankenfeldt, W, Goody, R.S, Waldmann, H, Wolters, D, Alexandrov, K. | Deposit date: | 2008-10-11 | Release date: | 2009-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Analysis of the eukaryotic prenylome by isoprenoid affinity tagging Nat.Chem.Biol., 5, 2009
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3EU5
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![BU of 3eu5 by Molmil](/molmil-images/mine/3eu5) | Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10) in complex with BiotinGPP | Descriptor: | (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ... | Authors: | Guo, Z, Nguyen, U.T.T, Delon, C, Bon, R.S, Blankenfeldt, W, Goody, R.S, Waldmann, H, Wolters, D, Alexandrov, K. | Deposit date: | 2008-10-09 | Release date: | 2009-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Analysis of the eukaryotic prenylome by isoprenoid affinity tagging Nat.Chem.Biol., 5, 2009
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7RGA
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![BU of 7rga by Molmil](/molmil-images/mine/7rga) | Crystal structure of nanoCLAMP3:VHH in complex with MTX | Descriptor: | METHOTREXATE, SODIUM ION, nano CLostridial Antibody Mimetic Protein 3 VHH | Authors: | Guo, Z, Alexandrov, K. | Deposit date: | 2021-07-14 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design of a methotrexate-controlled chemical dimerization system and its use in bio-electronic devices. Nat Commun, 12, 2021
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1VG9
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![BU of 1vg9 by Molmil](/molmil-images/mine/1vg9) | The crystal structures of the REP-1 protein in complex with C-terminally truncated Rab7 protein | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Rak, A, Pylypenko, O, Niculae, A, Pyatkov, K, Goody, R.S, Alexandrov, K. | Deposit date: | 2004-04-23 | Release date: | 2004-07-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Rab7:REP-1 complex: insights into the mechanism of Rab prenylation and choroideremia disease Cell(Cambridge,Mass.), 117, 2004
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7RG7
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![BU of 7rg7 by Molmil](/molmil-images/mine/7rg7) | Crystal structure of nanoclamp8:VHH in complex with MTX | Descriptor: | MAGNESIUM ION, METHOTREXATE, nano CLostridial Antibody Mimetic Protein 8 VHH | Authors: | Guo, Z, Peat, T, Newman, J, Alexandrov, K. | Deposit date: | 2021-07-14 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Design of a methotrexate-controlled chemical dimerization system and its use in bio-electronic devices. Nat Commun, 12, 2021
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1LTX
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![BU of 1ltx by Molmil](/molmil-images/mine/1ltx) | Structure of Rab Escort Protein-1 in complex with Rab geranylgeranyl transferase and isoprenoid | Descriptor: | AAAA, CHLORIDE ION, FARNESYL, ... | Authors: | Pylypenko, O, Rak, A, Reents, R, Niculae, A, Thoma, N.H, Waldmann, H, Schlichting, I, Goody, R.S, Alexandrov, K. | Deposit date: | 2002-05-21 | Release date: | 2003-05-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Rab Escort Protein-1 in Complex with Rab Geranylgeranyltransferase Mol.Cell, 11, 2003
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4F38
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![BU of 4f38 by Molmil](/molmil-images/mine/4f38) | Crystal structure of geranylgeranylated RhoA in complex with RhoGDI in its active GPPNHP-bound form | Descriptor: | GERAN-8-YL GERAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Guo, Z, Tnimov, Z, Alexandrov, K. | Deposit date: | 2012-05-09 | Release date: | 2012-05-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Quantitative Analysis of Prenylated RhoA Interaction with Its Chaperone, RhoGDI. J.Biol.Chem., 287, 2012
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1VG8
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![BU of 1vg8 by Molmil](/molmil-images/mine/1vg8) | GPPNHP-Bound Rab7 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-7 | Authors: | Rak, A, Pylypenko, O, Niculae, A, Pyatkov, K, Goody, R.S, Alexandrov, K. | Deposit date: | 2004-04-23 | Release date: | 2004-07-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the Rab7:REP-1 complex: insights into the mechanism of Rab prenylation and choroideremia disease Cell(Cambridge,Mass.), 117, 2004
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3ZCR
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![BU of 3zcr by Molmil](/molmil-images/mine/3zcr) | Rabbit muscle glycogen phosphorylase b in complex with N-(4-tert- butyl-benzoyl)-N-beta-D-glucopyranosyl urea determined at 2.07 A resolution | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, INOSINIC ACID, ... | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2012-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents To be Published
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3ZCQ
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![BU of 3zcq by Molmil](/molmil-images/mine/3zcq) | Rabbit muscle glycogen phosphorylase b in complex with N-(4- trifluoromethyl-benzoyl)-N-beta-D-glucopyranosyl urea determined at 2. 15 A resolution | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-{[4-(trifluoromethyl)benzoyl]carbamoyl}-beta-D-glucopyranosylamine, ... | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2012-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents To be Published
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1VG1
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![BU of 1vg1 by Molmil](/molmil-images/mine/1vg1) | GDP-Bound Rab7 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7 | Authors: | Rak, A, Pylypenko, O, Niculae, A, Pyatkov, K, Goody, R.S, Alexandrov, K. | Deposit date: | 2004-04-22 | Release date: | 2004-07-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Rab7:REP-1 complex: insights into the mechanism of Rab prenylation and choroideremia disease Cell(Cambridge,Mass.), 117, 2004
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1VG0
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![BU of 1vg0 by Molmil](/molmil-images/mine/1vg0) | The crystal structures of the REP-1 protein in complex with monoprenylated Rab7 protein | Descriptor: | CHLORIDE ION, GERAN-8-YL GERAN, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Rak, A, Pylypenko, O, Niculae, A, Pyatkov, K, Goody, R.S, Alexandrov, K. | Deposit date: | 2004-04-22 | Release date: | 2004-07-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the Rab7:REP-1 complex: insights into the mechanism of Rab prenylation and choroideremia disease Cell(Cambridge,Mass.), 117, 2004
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3ZCS
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![BU of 3zcs by Molmil](/molmil-images/mine/3zcs) | Rabbit muscle glycogen phosphorylase b in complex with N-(1-naphthoyl) -N-beta-D-glucopyranosyl urea determined at 2.07 A resolution | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, INOSINIC ACID, ... | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2012-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents To be Published
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3ZCV
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![BU of 3zcv by Molmil](/molmil-images/mine/3zcv) | Rabbit muscle glycogen phosphorylase b in complex with N-(indol-2- carbonyl)-N-beta-D-glucopyranosyl urea determined at 1.8 A resolution | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(1H-indol-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, ... | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2012-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents To be Published
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3ZCT
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![BU of 3zct by Molmil](/molmil-images/mine/3zct) | Rabbit muscle glycogen phosphorylase b in complex with N-(2-naphthoyl) -N-beta-D-glucopyranosyl urea determined at 2.0 A resolution | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, INOSINIC ACID, ... | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2012-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents To be Published
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3C72
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![BU of 3c72 by Molmil](/molmil-images/mine/3c72) | Engineered RabGGTase in complex with a peptidomimetic inhibitor | Descriptor: | CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ... | Authors: | Guo, Z, Wu, Y.W, Tan, K.T, Bon, R.S, Guiu-Rozas, E, Delon, C, Nguyen, U.T, Wetzel, S, Arndt, S, Goody, R.S, Blankenfeldt, W, Alexandrov, K, Waldmann, H. | Deposit date: | 2008-02-06 | Release date: | 2008-07-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of selective RabGGTase inhibitors and crystal structure of a RabGGTase-inhibitor complex. Angew.Chem.Int.Ed.Engl., 47, 2008
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3G2N
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![BU of 3g2n by Molmil](/molmil-images/mine/3g2n) | Crystal structure of N-acylglucosylamine with glycogen phosphorylase | Descriptor: | Glycogen phosphorylase, muscle form, N-(phenylcarbonyl)-beta-D-glucopyranosylamine | Authors: | Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2009-01-31 | Release date: | 2010-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case Tetrahedron: Asymmetry, 20, 2009
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3G2J
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![BU of 3g2j by Molmil](/molmil-images/mine/3g2j) | Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase | Descriptor: | Glycogen phosphorylase, muscle form, N-(hydroxyacetyl)-beta-D-glucopyranosylamine | Authors: | Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2009-01-31 | Release date: | 2010-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case Tetrahedron: Asymmetry, 20, 2009
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3G2L
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![BU of 3g2l by Molmil](/molmil-images/mine/3g2l) | Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase | Descriptor: | 1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form | Authors: | Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2009-01-31 | Release date: | 2010-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case Tetrahedron: Asymmetry, 20, 2009
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3G2K
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![BU of 3g2k by Molmil](/molmil-images/mine/3g2k) | Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole | Descriptor: | 1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form | Authors: | Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2009-01-31 | Release date: | 2010-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case Tetrahedron: Asymmetry, 20, 2009
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3G2H
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![BU of 3g2h by Molmil](/molmil-images/mine/3g2h) | Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase | Descriptor: | 1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2009-01-31 | Release date: | 2010-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case Tetrahedron: Asymmetry, 20, 2009
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