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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;
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl Diphosphate Synthase, MAGNESIUM ION
著者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)
登録日2013-06-26
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献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
分子名称: ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ...
著者Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
登録日2019-03-12
公開日2020-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
分子名称: Farnesyl-diphosphate synthase, GLYCEROL
著者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)
登録日2010-03-22
公開日2010-04-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
分子名称: BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN, GLYCOGEN PHOSPHORYLASE B
著者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.
登録日1998-03-25
公開日1998-07-01
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献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
分子名称: (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
著者Hosfield, D, Skene, R.J.
登録日2013-01-16
公開日2013-03-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献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.
分子名称: 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, ...
著者Mamais, M, Chrysina, E.D.
登録日2016-11-15
公開日2017-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献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
分子名称: 1-(3-chloro-4-fluorophenyl)methanamine, Farnesyl pyrophosphate synthase, GLYCEROL, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献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
分子名称: (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
著者Greasley, S.E, Hickey, M, Feng, J, Garcia, E.
登録日2012-01-17
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献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
分子名称: Hexokinase-1
著者Feng, J, Zhao, S, Liu, L.
登録日2014-07-03
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献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
分子名称: 6-O-phosphono-alpha-D-glucopyranose, Glucose-6-phosphate isomerase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-05-21
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: Glycogen phosphorylase, muscle form, N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
著者Chrysina, E.D, Tiraidis, C, Alexacou, K.-M, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G.
登録日2007-07-18
公開日2008-07-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: D-4-PHOSPHOERYTHRONIC ACID, GLYCEROL, Glucose-6-phosphate isomerase
著者Tanaka, N, Haga, A, Naba, N, Shiraiwa, K, Kusakabe, Y, Hashimoto, K, Funasaka, T, Nagase, H, Raz, A, Nakamura, K.T.
登録日2005-06-30
公開日2006-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CAFFEINE, ...
著者Nolte, R.T.
登録日2008-06-06
公開日2009-01-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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]
分子名称: (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, ...
著者Gizilis, G, Alexacou, K.M, Chrysina, E.D, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G.
登録日2007-07-28
公開日2008-07-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: (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, ...
著者Kantsadi, A.L, Stravodimos, G.A, Kyriakis, E, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2016-08-18
公開日2017-05-31
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: (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, ...
著者Kantsadi, A.L, Leonidas, D.D.
登録日2016-08-18
公開日2017-06-14
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: Glycogen phosphorylase, muscle form, N-(trifluoroacetyl)-beta-D-glucopyranosylamine, ...
著者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.
登録日2004-12-31
公開日2005-12-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthetase, MAGNESIUM ION
著者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)
登録日2007-07-05
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: Interleukin-1 beta, Macrocyclic peptide
著者Rondeau, J.-M, Lehmann, S.
登録日2024-02-09
公開日2024-05-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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)
分子名称: PUTATIVE FIMBRIAE ASSEMBLY CHAPERONE, SAFA PILUS SUBUNIT, SULFATE ION
著者Remaut, H, Rose, R.J, Hannan, T.J, Hultgren, S.J, Radford, S.E, Ashcroft, A.E, Waksman, G.
登録日2006-05-25
公開日2006-06-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ...
著者Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B.
登録日2020-01-15
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: BETA-MERCAPTOETHANOL, GERANYLGERANYL DIPHOSPHATE, GERANYLGERANYL PYROPHOSPHATE SYNTHETASE, ...
著者Kloer, D.P, Welsch, R, Beyer, P, Schulz, G.E.
登録日2006-08-15
公開日2007-01-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: Glycogen phosphorylase, muscle form, INOSINIC ACID, ...
著者Kantsadi, A.L, Chatzileontiadou, D.S.M, Stravodimos, G.A, Leonidas, D.D.
登録日2015-02-27
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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+
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, CALCIUM ION, ...
著者Aripirala, S, Gabelli, S, Amzel, L.M.
登録日2013-04-03
公開日2014-03-05
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: Glycogen Phosphorylase, N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE
著者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.
登録日2001-09-18
公開日2001-10-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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

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