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4LFG
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BU of 4lfg by Molmil
Crystal structure of geranylgeranyl diphosphate synthase sub1274 (target efi-509455) from streptococcus uberis 0140j with bound magnesium and isopentyl diphosphate, fully liganded complex;
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl Diphosphate Synthase, MAGNESIUM ION
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-06-26
Release date:2013-07-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal Structure of Geranylgeranyl Diphosphate Synthase from Streptococcus Uberis 0140J
To be Published
5QPE
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BU of 5qpe by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000295a
Descriptor: ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ...
Authors:Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
Deposit date:2019-03-12
Release date:2020-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
3M9U
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BU of 3m9u by Molmil
Crystal structure of geranylgeranyl pyrophosphate synthase from lactobacillus brevis atcc 367
Descriptor: Farnesyl-diphosphate synthase, GLYCEROL
Authors:Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Almo, S.C, New York Structural GenomiX Research Consortium (NYSGXRC), New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-03-22
Release date:2010-04-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal Structure of Geranylgeranyl Pyrophosphate Synthase from Lactobacillus Brevis Atcc 367
To be Published
1A8I
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BU of 1a8i by Molmil
SPIROHYDANTOIN INHIBITOR OF GLYCOGEN PHOSPHORYLASE
Descriptor: BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN, GLYCOGEN PHOSPHORYLASE B
Authors:Gregoriou, M, Noble, M.E.M, Watson, K.A, Garman, E.F, Krulle, T.M, De La Fuente, C, Fleet, G.W.J, Oikonomakos, N.G, Johnson, L.N.
Deposit date:1998-03-25
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: the role of the water structure and its contribution to binding.
Protein Sci., 7, 1998
4ISE
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BU of 4ise by Molmil
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide
Descriptor: (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Hosfield, D, Skene, R.J.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
5MEM
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BU of 5mem by Molmil
A potent fluorescent inhibitor of glycogen phosphorylase as a catalytic site probe.
Descriptor: 2-[[1-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{H}-acridin-9-one, Glycogen phosphorylase, muscle form, ...
Authors:Mamais, M, Chrysina, E.D.
Deposit date:2016-11-15
Release date:2017-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A New Potent Inhibitor of Glycogen Phosphorylase Reveals the Basicity of the Catalytic Site.
Chemistry, 23, 2017
5QTF
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BU of 5qtf by Molmil
T. brucei FPPS in complex with CID 144539
Descriptor: 1-(3-chloro-4-fluorophenyl)methanamine, Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
Deposit date:2019-08-09
Release date:2020-10-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:T. brucei FPPS in complex with CID 144539
To Be Published
4DCH
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BU of 4dch by Molmil
Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations
Descriptor: (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Greasley, S.E, Hickey, M, Feng, J, Garcia, E.
Deposit date:2012-01-17
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
4QS8
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BU of 4qs8 by Molmil
Arabidopsis Hexokinase 1 (AtHXK1) structure in ligand-free form
Descriptor: Hexokinase-1
Authors:Feng, J, Zhao, S, Liu, L.
Deposit date:2014-07-03
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015
4QFH
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BU of 4qfh by Molmil
Structure of a glucose-6-phosphate isomerase from Trypanosoma cruzi
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, Glucose-6-phosphate isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-05-21
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a glucose-6-phosphate isomerase from Trypanosoma cruzi
To be Published
2QNB
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BU of 2qnb by Molmil
Glycogen Phosphorylase b in complex with N-benzoyl-N'-beta-D-glucopyranosyl urea
Descriptor: Glycogen phosphorylase, muscle form, N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
Authors:Chrysina, E.D, Tiraidis, C, Alexacou, K.-M, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G.
Deposit date:2007-07-18
Release date:2008-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:N-(4-substituted-benzoyl)-N'-(beta-D-glucopyranosyl)ureas, inhibitors of glycogen phosphorylase: synthesis, kinetic and crystallographic evaluation
To be Published
2CXO
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BU of 2cxo by Molmil
Crystal structure of mouse AMF / E4P complex
Descriptor: D-4-PHOSPHOERYTHRONIC ACID, GLYCEROL, Glucose-6-phosphate isomerase
Authors:Tanaka, N, Haga, A, Naba, N, Shiraiwa, K, Kusakabe, Y, Hashimoto, K, Funasaka, T, Nagase, H, Raz, A, Nakamura, K.T.
Deposit date:2005-06-30
Release date:2006-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of mouse autocrine motility factor in complex with carbohydrate phosphate inhibitors provide insight into structure-activity relationship of the inhibitors
J.Mol.Biol., 356, 2006
3DDS
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BU of 3dds by Molmil
Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK261
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CAFFEINE, ...
Authors:Nolte, R.T.
Deposit date:2008-06-06
Release date:2009-01-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.
Bioorg.Med.Chem.Lett., 19, 2009
2QRQ
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BU of 2qrq by Molmil
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
5LRE
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BU of 5lre by Molmil
Crystal structure of Glycogen Phosphorylase b in complex with KS382
Descriptor: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
Authors:Kantsadi, A.L, Stravodimos, G.A, Kyriakis, E, Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2016-08-18
Release date:2017-05-31
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur J Med Chem, 123, 2016
5LRD
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BU of 5lrd by Molmil
Crystal structure of Glycogen Phosphorylase b in complex with KS242
Descriptor: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
Authors:Kantsadi, A.L, Leonidas, D.D.
Deposit date:2016-08-18
Release date:2017-06-14
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:van der Waals interactions govern C-beta-d-glucopyranosyl triazoles' nM inhibitory potency in human liver glycogen phosphorylase.
J. Struct. Biol., 199, 2017
1WW3
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BU of 1ww3 by Molmil
Crystallographic studies on two bioisosteric analogues, N-acetyl-beta-D-glucopyranosylamine and N-trifluoroacetyl-beta-D-glucopyranosylamine, potent inhibitors of muscle glycogen phosphorylase
Descriptor: Glycogen phosphorylase, muscle form, N-(trifluoroacetyl)-beta-D-glucopyranosylamine, ...
Authors:Anagnostou, E, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Hadjiloi, T, Tiraidis, C, Zographos, S.E, Gyorgydeak, Z, Somsak, L, Docsa, T, Gergely, P, Kolisis, F.N, Oikonomakos, N.G.
Deposit date:2004-12-31
Release date:2005-12-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic studies on two bioisosteric analogues, N-acetyl-beta-d-glucopyranosylamine and N-trifluoroacetyl-beta-d-glucopyranosylamine, potent inhibitors of muscle glycogen phosphorylase
Bioorg.Med.Chem., 14, 2006
2QIS
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BU of 2qis by Molmil
Crystal structure of human farnesyl pyrophosphate synthase T210S mutant bound to risedronate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Kavanagh, K.L, Dunford, J.E, Hozjan, V, Evdokimov, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-07-05
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human farnesyl pyrophosphate synthase T210S mutant bound to risedronate.
To be Published
8RYK
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BU of 8ryk by Molmil
IL-1beta in complex with macrocyclic peptide hit
Descriptor: Interleukin-1 beta, Macrocyclic peptide
Authors:Rondeau, J.-M, Lehmann, S.
Deposit date:2024-02-09
Release date:2024-05-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
2CO7
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BU of 2co7 by Molmil
Salmonella enterica SafA pilin in complex with the SafB chaperone (Type II)
Descriptor: PUTATIVE FIMBRIAE ASSEMBLY CHAPERONE, SAFA PILUS SUBUNIT, SULFATE ION
Authors:Remaut, H, Rose, R.J, Hannan, T.J, Hultgren, S.J, Radford, S.E, Ashcroft, A.E, Waksman, G.
Deposit date:2006-05-25
Release date:2006-06-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Donor-Strand Exchange in Chaperone-Assisted Pilus Assembly Proceeds Through a Concerted Beta-Strand Displacement Mechanism
Mol.Cell, 22, 2006
6VJC
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BU of 6vjc by Molmil
LmFPPS mutant T164Y in complex with 476A, IPP & Ca
Descriptor: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ...
Authors:Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B.
Deposit date:2020-01-15
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
2J1P
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BU of 2j1p by Molmil
Geranylgeranyl diphosphate synthase from Sinapis alba in complex with GGPP
Descriptor: BETA-MERCAPTOETHANOL, GERANYLGERANYL DIPHOSPHATE, GERANYLGERANYL PYROPHOSPHATE SYNTHETASE, ...
Authors:Kloer, D.P, Welsch, R, Beyer, P, Schulz, G.E.
Deposit date:2006-08-15
Release date:2007-01-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Reaction Geometry of Geranylgeranyl Diphosphate Synthase from Sinapis Alba.
Biochemistry, 45, 2006
4YI5
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BU of 4yi5 by Molmil
Crystal structure of Gpb in complex with 4b
Descriptor: Glycogen phosphorylase, muscle form, INOSINIC ACID, ...
Authors:Kantsadi, A.L, Chatzileontiadou, D.S.M, Stravodimos, G.A, Leonidas, D.D.
Deposit date:2015-02-27
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Glycogen phosphorylase as a target for type 2 diabetes: synthetic, biochemical, structural and computational evaluation of novel N-acyl-N -( beta-D-glucopyranosyl) urea inhibitors.
Curr Top Med Chem, 15, 2015
4JZX
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BU of 4jzx by Molmil
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-BUTYL-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, IPP and Ca2+
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, CALCIUM ION, ...
Authors:Aripirala, S, Gabelli, S, Amzel, L.M.
Deposit date:2013-04-03
Release date:2014-03-05
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
1K06
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BU of 1k06 by Molmil
Crystallographic Binding Study of 100 mM N-benzoyl-N'-beta-D-glucopyranosyl urea to glycogen phosphorylase b
Descriptor: Glycogen Phosphorylase, N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE
Authors:Oikonomakos, N.G, Kosmopoulou, M, Zographos, S.E, Leonidas, D.D, Chrysina, E.D, Somsak, L, Nagy, V, Praly, J.P, Docsa, T, Toth, B, Gergely, P.
Deposit date:2001-09-18
Release date:2001-10-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of N-acetyl-N '-beta-D-glucopyranosyl urea and N-benzoyl-N '-beta-D-glucopyranosyl urea to glycogen phosphorylase b: kinetic and crystallographic studies.
Eur.J.Biochem., 269, 2002

225946

數據於2024-10-09公開中

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