3G2I
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![BU of 3g2i by Molmil](/molmil-images/mine/3g2i) | Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole | Descriptor: | 1-beta-D-glucopyranosyl-4-(hydroxymethyl)-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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3HXD
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![BU of 3hxd by Molmil](/molmil-images/mine/3hxd) | Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 9) | Descriptor: | CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ... | Authors: | Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W. | Deposit date: | 2009-06-20 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors J.Med.Chem., 52, 2009
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3HXE
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![BU of 3hxe by Molmil](/molmil-images/mine/3hxe) | Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 37) | Descriptor: | CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ... | Authors: | Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W. | Deposit date: | 2009-06-20 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors J.Med.Chem., 52, 2009
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4EHM
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![BU of 4ehm by Molmil](/molmil-images/mine/4ehm) | RabGGTase in complex with covalently bound Psoromic acid | Descriptor: | 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... | Authors: | Guo, Z, Deraeve, C, Bon, R.S, Alexandrov, K, Waldmann, H, Wu, Y.W, Goody, R.S, Blankenfeldt, W. | Deposit date: | 2012-04-02 | Release date: | 2012-05-30 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Psoromic Acid is a Selective and Covalent Rab-Prenylation Inhibitor Targeting Autoinhibited RabGGTase J.Am.Chem.Soc., 134, 2012
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3HXB
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![BU of 3hxb by Molmil](/molmil-images/mine/3hxb) | Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 6) | Descriptor: | Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine, ... | Authors: | Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W. | Deposit date: | 2009-06-20 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors J.Med.Chem., 52, 2009
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3PZ1
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![BU of 3pz1 by Molmil](/molmil-images/mine/3pz1) | Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS3 | Descriptor: | (3R)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2010-12-14 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Guided Development of Selective RabGGTase Inhibitors. Angew.Chem.Int.Ed.Engl., 50, 2011
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3OGO
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![BU of 3ogo by Molmil](/molmil-images/mine/3ogo) | Structure of the GFP:GFP-nanobody complex at 2.8 A resolution in spacegroup P21212 | Descriptor: | GFP-nanobody, Green fluorescent protein, ISOPROPYL ALCOHOL | Authors: | Kubala, M.H, Kovtun, O, Alexandrov, K, Collins, B.M. | Deposit date: | 2010-08-17 | Release date: | 2010-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and thermodynamic analysis of the GFP:GFP-nanobody complex. Protein Sci., 19, 2010
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3HXF
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![BU of 3hxf by Molmil](/molmil-images/mine/3hxf) | Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 32) | Descriptor: | CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ... | Authors: | Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W. | Deposit date: | 2009-06-20 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors J.Med.Chem., 52, 2009
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3HXC
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![BU of 3hxc by Molmil](/molmil-images/mine/3hxc) | Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 8) | Descriptor: | CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ... | Authors: | Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W. | Deposit date: | 2009-06-20 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors J.Med.Chem., 52, 2009
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2QN1
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![BU of 2qn1 by Molmil](/molmil-images/mine/2qn1) | Glycogen Phosphorylase b in complex with asiatic acid | Descriptor: | Glycogen phosphorylase, muscle form, asiatic acid | Authors: | Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G. | Deposit date: | 2007-07-17 | Release date: | 2008-06-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies J.Med.Chem., 51, 2008
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2QRP
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![BU of 2qrp by Molmil](/molmil-images/mine/2qrp) | Glycogen Phosphorylase b in complex with (1R)-3'-(2-naphthyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | Descriptor: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Gizilis, G, Alexacou, K.M, Chrysina, E.D, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | Deposit date: | 2007-07-28 | Release date: | 2008-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors. Bioorg.Med.Chem., 17, 2009
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2QN2
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![BU of 2qn2 by Molmil](/molmil-images/mine/2qn2) | Glycogen Phosphorylase b in complex with Maslinic Acid | Descriptor: | Glycogen phosphorylase, muscle form, maslinic acid | Authors: | Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G. | Deposit date: | 2007-07-17 | Release date: | 2008-06-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies J.Med.Chem., 51, 2008
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2GIL
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![BU of 2gil by Molmil](/molmil-images/mine/2gil) | Structure of the extremely slow GTPase Rab6A in the GTP bound form at 1.8 resolution | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-6A | Authors: | Bergbrede, T, Pylypenko, O, Rak, A, Alexandrov, K. | Deposit date: | 2006-03-29 | Release date: | 2006-06-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure of the extremely slow GTPase Rab6A in the GTP bound form at 1.8 resolution J.STRUCT.BIOL., 152, 2005
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2QRQ
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![BU of 2qrq by Molmil](/molmil-images/mine/2qrq) | Glycogen Phosphorylase b in complex with (1R)-3'-(4-methylphenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | Descriptor: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Gizilis, G, Alexacou, K.M, Chrysina, E.D, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | Deposit date: | 2007-07-28 | Release date: | 2008-07-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors. Bioorg.Med.Chem., 17, 2009
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2QRH
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![BU of 2qrh by Molmil](/molmil-images/mine/2qrh) | Glycogen Phosphorylase b in complex with (1R)-3'-phenylspiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | Descriptor: | (5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol, Glycogen phosphorylase, muscle form | Authors: | Kizilis, G, Alexacou, K.-M, Chrysina, E.D, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | Deposit date: | 2007-07-28 | Release date: | 2008-08-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors. Bioorg.Med.Chem., 17, 2009
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2QN7
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![BU of 2qn7 by Molmil](/molmil-images/mine/2qn7) | Glycogen Phosphorylase b in complex with N-4-hydroxybenzoyl-N'-4-beta-D-glucopyranosyl urea | Descriptor: | Glycogen phosphorylase, muscle form, INOSINIC ACID, ... | Authors: | Chrysina, E.D, Tiraidis, K, Alexacou, K.-M, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | Deposit date: | 2007-07-18 | Release date: | 2008-07-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | N-(4-substituted-benzoyl)-N'-(beta-D-glucopyranosyl)ureas, inhibitors of glycogen phosphorylase: synthesis, kinetic and crystallographic evaluation To be Published
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2QRG
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![BU of 2qrg by Molmil](/molmil-images/mine/2qrg) | Glycogen Phosphorylase b in complex with (1R)-3'-(4-methoxyphenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | Descriptor: | (5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-3-(4-METHOXYPHENYL)-1,6-DIOXA-2-AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL, Glycogen phosphorylase, muscle form | Authors: | Kizilis, G, Alexacou, K.-M, Chrysina, E.D, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | Deposit date: | 2007-07-28 | Release date: | 2008-08-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors. Bioorg.Med.Chem., 17, 2009
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3EBO
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![BU of 3ebo by Molmil](/molmil-images/mine/3ebo) | Glycogen Phosphorylase b/Chrysin complex | Descriptor: | Glycogen phosphorylase, muscle form, chrysin | Authors: | Oikonomakos, N.G, Zographos, S.E, Leonidas, D.D, Hayes, J.M, Tiraidis, C, Alexacou, K.-M. | Deposit date: | 2008-08-28 | Release date: | 2009-09-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol Food Chem.Toxicol., 61, 2013
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3EBP
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![BU of 3ebp by Molmil](/molmil-images/mine/3ebp) | Glycogen Phosphorylase b/flavopiridol complex | Descriptor: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Glycogen phosphorylase, muscle form | Authors: | Oikonomakos, N.G, Zographos, S.E, Leonidas, D.D, Hayes, J.M, Tiraidis, C, Alexacou, K.-M. | Deposit date: | 2008-08-28 | Release date: | 2009-09-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol Food Chem.Toxicol., 61, 2013
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2QRM
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![BU of 2qrm by Molmil](/molmil-images/mine/2qrm) | Glycogen Phosphorylase b in complex with (1R)-3'-(4-nitrophenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | Descriptor: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol, Glycogen phosphorylase, muscle form | Authors: | Gizilis, G, Alexacou, K.M, Chrysina, E.D, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | Deposit date: | 2007-07-28 | Release date: | 2008-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors. Bioorg.Med.Chem., 17, 2009
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2BCG
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![BU of 2bcg by Molmil](/molmil-images/mine/2bcg) | Structure of doubly prenylated Ypt1:GDI complex | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GERAN-8-YL GERAN, GTP-binding protein YPT1, ... | Authors: | Pylypenko, O, Rak, A, Alexandrov, K. | Deposit date: | 2005-10-19 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structure of doubly prenylated Ypt1:GDI complex and the mechanism of GDI-mediated Rab recycling Embo J., 25, 2006
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1UKV
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![BU of 1ukv by Molmil](/molmil-images/mine/1ukv) | Structure of RabGDP-dissociation inhibitor in complex with prenylated YPT1 GTPase | Descriptor: | GERAN-8-YL GERAN, GTP-binding protein YPT1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Rak, A, Pylypenko, O, Durek, T, Watzke, A, Kushnir, S, Brunsveld, L, Waldmann, H, Goody, R.S, Alexandrov, K. | Deposit date: | 2003-09-01 | Release date: | 2004-09-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of Rab GDP-dissociation inhibitor in complex with prenylated YPT1 GTPase Science, 302, 2003
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1FKM
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![BU of 1fkm by Molmil](/molmil-images/mine/1fkm) | CRYSTAL STRUCTURE OF THE YPT/RAB-GAP DOMAIN OF GYP1P | Descriptor: | PROTEIN (GYP1P) | Authors: | Rak, A, Fedorov, R, Alexandrov, K, Albert, S, Goody, R.S, Gallwitz, D, Scheidig, A.J. | Deposit date: | 2000-08-09 | Release date: | 2001-02-09 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the GAP domain of Gyp1p: first insights into interaction with Ypt/Rab proteins. EMBO J., 19, 2000
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3PZ3
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![BU of 3pz3 by Molmil](/molmil-images/mine/3pz3) | Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS-analogue 14 | Descriptor: | 4-({(3R)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... | Authors: | Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2010-12-14 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Development of Selective RabGGTase Inhibitors. Angew.Chem.Int.Ed.Engl., 50, 2011
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3PZ2
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![BU of 3pz2 by Molmil](/molmil-images/mine/3pz2) | Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS3 and lipid substrate GGPP | Descriptor: | (3R)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile, CALCIUM ION, GERANYLGERANYL DIPHOSPHATE, ... | Authors: | Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2010-12-14 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Guided Development of Selective RabGGTase Inhibitors. Angew.Chem.Int.Ed.Engl., 50, 2011
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