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1L5R
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BU of 1l5r by Molmil
Human liver glycogen phosphorylase a complexed with riboflavin, N-Acetyl-beta-D-Glucopyranosylamine and CP-403,700
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L.
Deposit date:2002-03-07
Release date:2002-12-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
3LTQ
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BU of 3ltq by Molmil
Structure of Interleukin 1B solved by SAD using an inserted Lanthanide Binding Tag
Descriptor: ACETATE ION, Interleukin-1 beta, SULFATE ION, ...
Authors:Peisach, E, Allen, K.N.
Deposit date:2010-02-16
Release date:2011-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineering encodable lanthanide-binding tags into loop regions of proteins.
J.Am.Chem.Soc., 133, 2011
4DWB
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BU of 4dwb by Molmil
Crystal structure of Trypanosoma cruzi farnesyl diphosphate synthase in complex with [2-(n-pentylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, 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 (2.1 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
2Z78
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BU of 2z78 by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-806
Descriptor: 3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium, Geranylgeranyl pyrophosphate synthetase
Authors:Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-08-16
Release date:2008-07-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
5HHC
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BU of 5hhc by Molmil
Crystal Structure of Chemically Synthesized Heterochiral {RFX037 plus VEGF-A} Protein Complex in space group P21/n
Descriptor: D- Vascular endothelial growth factor-A, GLYCEROL, Vascular endothelial growth factor A
Authors:Uppalapati, M, Lee, D.J, Mandal, K, Kent, S.B.H, Sidhu, S.
Deposit date:2016-01-10
Release date:2016-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Potent d-Protein Antagonist of VEGF-A is Nonimmunogenic, Metabolically Stable, and Longer-Circulating in Vivo.
Acs Chem.Biol., 11, 2016
3BD8
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BU of 3bd8 by Molmil
Glucogen Phosphorylase complex with 1(-D-glucopyranosyl) cytosine
Descriptor: 4-amino-1-beta-D-glucopyranosylpyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form, ...
Authors:Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G.
Deposit date:2007-11-14
Release date:2008-11-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
2Z7I
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BU of 2z7i by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-742
Descriptor: (2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Chen, C.K.-M, Ko, T.-P, Cao, R, Hudock, M, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-08-23
Release date:2008-07-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
8UGH
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BU of 8ugh by Molmil
In-situ structure of typeA supercomplex with lipids in respiratory chain (composite)
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, ...
Authors:Zheng, W, Zhang, K, Zhu, J.
Deposit date:2023-10-05
Release date:2024-06-19
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
8ANA
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BU of 8ana by Molmil
Cryo-EM structure of the proline-rich antimicrobial peptide drosocin bound to the 50S ribosomal subunit
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Koller, T.O, Morici, M, Wilson, D.N.
Deposit date:2022-08-05
Release date:2023-03-08
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Structural basis for translation inhibition by the glycosylated drosocin peptide.
Nat.Chem.Biol., 19, 2023
5DIQ
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BU of 5diq by Molmil
Crystal structure of human FPPS in complex with salicylic acid derivative 3a
Descriptor: 2-(naphthalen-1-ylmethoxy)benzoic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-01
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5HHD
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BU of 5hhd by Molmil
Crystal Structure of Chemically Synthesized Heterochiral {RFX037 plus VEGF-A} Protein Complex in space group P21
Descriptor: D-Peptide RFX037.D, D-Vascular endothelial growth factor, DI(HYDROXYETHYL)ETHER, ...
Authors:Uppalapati, M, LEE, D.J, Mandal, K, Kent, S.B.H, Sidhu, S.
Deposit date:2016-01-10
Release date:2016-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Potent d-Protein Antagonist of VEGF-A is Nonimmunogenic, Metabolically Stable, and Longer-Circulating in Vivo.
Acs Chem.Biol., 11, 2016
8EMM
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BU of 8emm by Molmil
Composite 70S ribosome structure for "Atomistic simulations of the E. coli ribosome provide selection criteria for translationally active substrates
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Watson, Z.L, Cate, J.H.D.
Deposit date:2022-09-28
Release date:2023-05-31
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Atomistic simulations of the Escherichia coli ribosome provide selection criteria for translationally active substrates.
Nat.Chem., 15, 2023
4Z5X
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BU of 4z5x by Molmil
Glycogen phosphorylase in complex with gallic acid
Descriptor: 3,4,5-trihydroxybenzoic acid, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Kantsadi, L.A, Stravodimos, A.G, Chatzileontiadou, S.M.D, Leonidas, D.D.
Deposit date:2015-04-03
Release date:2015-05-13
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natural flavonoids as antidiabetic agents. The binding of gallic and ellagic acids to glycogen phosphorylase b.
Febs Lett., 589, 2015
6R37
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BU of 6r37 by Molmil
T. brucei FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid
Descriptor: (5-chloro-1-benzothiophen-3-yl)acetic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase
Authors:Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
Deposit date:2019-03-19
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery
Thesis, 2019
6W7I
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BU of 6w7i by Molmil
LmFPPS mutant T164W 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:2020-03-19
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
6YVE
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BU of 6yve by Molmil
Glycogen phosphorylase b in complex with pelargonidin 3-O-beta-D-glucoside
Descriptor: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
Authors:Drakou, C.E, Gardeli, C, Tsialtas, I, Alexopoulos, S, Mallouchos, A, Koulas, S, Tsagkarakou, A, Asimakopoulos, D, Leonidas, D.D, Psarra, A.M, Skamnaki, V.T.
Deposit date:2020-04-28
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Affinity Crystallography Reveals Binding of Pomegranate Juice Anthocyanins at the Inhibitor Site of Glycogen Phosphorylase: The Contribution of a Sugar Moiety to Potency and Its Implications to the Binding Mode.
J.Agric.Food Chem., 68, 2020
7NZ1
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BU of 7nz1 by Molmil
Respiratory complex I from Escherichia coli - focused refinement of cytoplasmic arm
Descriptor: CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Kolata, P, Efremov, R.G.
Deposit date:2021-03-23
Release date:2021-08-18
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Structure of Escherichia coli respiratory complex I reconstituted into lipid nanodiscs reveals an uncoupled conformation.
Elife, 10, 2021
1HOX
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BU of 1hox by Molmil
CRYSTAL STRUCTURE OF RABBIT PHOSPHOGLUCOSE ISOMERASE COMPLEXED WITH FRUCTOSE-6-PHOSPHATE
Descriptor: 6-O-phosphono-beta-D-fructofuranose, PHOSPHOGLUCOSE ISOMERASE
Authors:Jeffrey, C.J, Lee, J.H, Chang, K.Z, Patel, V.
Deposit date:2000-12-11
Release date:2001-07-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of rabbit phosphoglucose isomerase complexed with its substrate D-fructose 6-phosphate.
Biochemistry, 40, 2001
1TOO
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BU of 1too by Molmil
Interleukin 1B Mutant F146W
Descriptor: Interleukin-1 beta
Authors:Adamek, D.H, Guerrero, L, Caspar, D.L.
Deposit date:2004-06-14
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and energetic consequences of mutations in a solvated hydrophobic cavity.
J.Mol.Biol., 346, 2005
1TWE
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BU of 1twe by Molmil
INTERLEUKIN 1 BETA MUTANT F101Y
Descriptor: Interleukin-1 beta
Authors:Adamek, D.H, Capsar, D.L.
Deposit date:2004-06-30
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and energetic consequences of mutations in a solvated hydrophobic cavity.
J.Mol.Biol., 346, 2005
5I1B
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BU of 5i1b by Molmil
A COMPARISON OF THE HIGH RESOLUTION STRUCTURES OF HUMAN AND MURINE INTERLEUKIN-1B
Descriptor: INTERLEUKIN-1 BETA
Authors:Ohlendorf, D.H, Salemme, F.R.
Deposit date:1990-09-07
Release date:1992-01-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Comparison of the High Resolution Structures of Human and Murine Interleukin-1B
To be Published
3DYG
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BU of 3dyg by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ...
Authors:Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E.
Deposit date:2008-07-27
Release date:2009-05-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
3MS2
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BU of 3ms2 by Molmil
Glycogen phosphorylase complexed with 4-methylbenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
2Z4Y
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BU of 2z4y by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252
Descriptor: (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-06-26
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
3MAV
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BU of 3mav by Molmil
Crystal structure of Plasmodium vivax putative farnesyl pyrophosphate synthase (Pv092040)
Descriptor: Farnesyl pyrophosphate synthase, SULFATE ION
Authors:Dong, A, Dunford, J, Lew, J, Wernimont, A.K, Ren, H, Zhao, Y, Koeieradzki, I, Opperman, U, Sundstrom, M, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2010-03-24
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites.
J.Biol.Chem., 286, 2011

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