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6P9E
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BU of 6p9e by Molmil
Crystal structure of IL-36gamma complexed to A-552
Descriptor: (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma
Authors:Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E.
Deposit date:2019-06-10
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis.
Sci Rep, 9, 2019
4IXC
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BU of 4ixc by Molmil
Crystal structure of Human Glucokinase in complex with a small molecule activator.
Descriptor: (2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
Authors:Ogg, D.J, Hargreaves, D, Gerhardt, S.
Deposit date:2013-01-25
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content
To be Published
2CO6
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BU of 2co6 by Molmil
Salmonella enterica SafA pilin in complex with the SafB chaperone (Type I)
Descriptor: PUTATIVE FIMBRIAE ASSEMBLY CHAPERONE, PUTATIVE OUTER MEMBRANE PROTEIN
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 (2 Å)
Cite:Donor-Strand Exchange in Chaperone-Assisted Pilus Assembly Proceeds Through a Concerted Beta-Strand Displacement Mechanism
Mol.Cell, 22, 2006
3OYR
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BU of 3oyr by Molmil
Crystal structure of polyprenyl synthase from Caulobacter crescentus CB15 complexed with calcium and isoprenyl diphosphate
Descriptor: CALCIUM ION, DIMETHYLALLYL DIPHOSPHATE, PYROPHOSPHATE 2-, ...
Authors:Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Poulter, C.D, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-09-23
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
3P8L
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BU of 3p8l by Molmil
Crystal structure of polyprenyl synthase from Enterococcus faecalis V583
Descriptor: Geranyltranstransferase
Authors:Patskovsky, Y, Toro, R, Dickey, M, Sauder, J.M, Burley, S.K, Poulter, C.D, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-10-14
Release date:2010-11-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MHS
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BU of 4mhs by Molmil
Crystal structure of Gpb in complex with SUGAR (N-[(2E)-3-(BIPHENYL-4-YL)PROP-2-ENOYL]-BETA-D-GLUCOPYRANOSYLAMINE
Descriptor: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
Authors:Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D.
Deposit date:2013-08-30
Release date:2014-07-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
3BDA
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BU of 3bda by Molmil
Glycogen Phosphorylase complex with 1(-D-glucopyranosyl) cyanuric acid
Descriptor: 1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione, 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 Å)
Cite:D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
3BCS
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BU of 3bcs by Molmil
Glycogen Phosphorylase complex with 1(-D-glucopyranosyl) uracil
Descriptor: 1-beta-D-glucopyranosylpyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
Authors:Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G.
Deposit date:2007-11-13
Release date:2008-11-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
1B4D
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BU of 1b4d by Molmil
AMIDOCARBAMATE INHIBITOR OF GLYCOGEN PHOSPHORYLASE
Descriptor: 1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE, INOSINIC ACID, PROTEIN (GLYCOGEN PHOSPHORYLASE B), ...
Authors:Tsitsanou, K.E, Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Gregoriou, M, Watson, K.A, Johnson, L.N, Fleet, G.W.J.
Deposit date:1998-12-18
Release date:1998-12-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effects of commonly used cryoprotectants on glycogen phosphorylase activity and structure.
Protein Sci., 8, 1999
4NKF
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BU of 4nkf by Molmil
The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Farnesyl pyrophosphate synthase, ...
Authors:Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E.
Deposit date:2013-11-12
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
To be Published
1FZV
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BU of 1fzv by Molmil
THE CRYSTAL STRUCTURE OF HUMAN PLACENTA GROWTH FACTOR-1 (PLGF-1), AN ANGIOGENIC PROTEIN AT 2.0A RESOLUTION
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, PLACENTA GROWTH FACTOR
Authors:Iyer, S, Leonidas, D.D, Swaminathan, G.J, Maglione, D, Battisti, M, Tucci, M, Persico, M.G, Acharya, K.R.
Deposit date:2000-10-04
Release date:2001-05-09
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of human placenta growth factor-1 (PlGF-1), an angiogenic protein, at 2.0 A resolution.
J.Biol.Chem., 276, 2001
1RL6
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BU of 1rl6 by Molmil
RIBOSOMAL PROTEIN L6
Descriptor: PROTEIN (RIBOSOMAL PROTEIN L6)
Authors:Golden, B.L, Davies, C, Ramakrishnan, V, White, S.W.
Deposit date:1999-01-14
Release date:1999-02-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ribosomal protein L6: structural evidence of gene duplication from a primitive RNA binding protein.
EMBO J., 12, 1993
3G2K
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BU of 3g2k by Molmil
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
3QQV
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BU of 3qqv by Molmil
Crystal structure of geranylgeranyl pyrophosphate synthase from corynebacterium glutamicum complexed with isoprenyl diphosphate and magnesium
Descriptor: DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, Geranylgeranyl pyrophosphate synthase, ...
Authors:Patskovsky, Y, Toro, R, Sauder, J.M, Poulter, C.D, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI), New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2011-02-16
Release date:2011-03-02
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
1L5V
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BU of 1l5v by Molmil
Crystal Structure of the Maltodextrin Phosphorylase complexed with Glucose-1-phosphate
Descriptor: 1-O-phosphono-alpha-D-glucopyranose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MALTODEXTRIN PHOSPHORYLASE, ...
Authors:Geremia, S, Campagnolo, M, Schinzel, R, Johnson, L.N.
Deposit date:2002-03-08
Release date:2002-04-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enzymatic catalysis in crystals of Escherichia coli maltodextrin phosphorylase
J.Mol.Biol., 322, 2002
3BD6
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BU of 3bd6 by Molmil
Glycogen Phosphorylase complex with 1(-D-ribofuranosyl) cyanuric acid
Descriptor: 1-beta-D-ribofuranosyl-1,3,5-triazinane-2,4,6-trione, 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:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
6N7Y
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BU of 6n7y by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-102
Descriptor: Farnesyl pyrophosphate synthase, GLYCEROL, PHOSPHATE ION, ...
Authors:Park, J, Berghuis, A.M.
Deposit date:2018-11-28
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
3G2I
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BU of 3g2i by Molmil
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
6N83
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BU of 6n83 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037
Descriptor: CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ...
Authors:Park, J, Schilling, M.A, Berghuis, A.M.
Deposit date:2018-11-28
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
2OGD
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BU of 2ogd by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E.
Deposit date:2007-01-05
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bisphosphonates: Teaching Old Drugs with New Tricks
TO BE PUBLISHED
1XTB
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BU of 1xtb by Molmil
Crystal Structure of Rabbit Phosphoglucose Isomerase Complexed with Sorbitol-6-Phosphate
Descriptor: D-SORBITOL-6-PHOSPHATE, phosphoglucose isomerase
Authors:Lee, J.H, Jeffery, C.J.
Deposit date:2004-10-21
Release date:2005-03-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of rabbit phosphoglucose isomerase complexed with D-sorbitol-6-phosphate, an analog of the open chain form of D-glucose-6-phosphate.
Protein Sci., 14, 2005
3GEW
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BU of 3gew by Molmil
FaeE-FaeG chaperone-major pilin complex of F4 ad fimbriae
Descriptor: Chaperone protein faeE, GLYCEROL, K88 fimbrial protein AD, ...
Authors:Van Molle, I, Moonens, K, Garcia-Pino, A, Buts, L, Bouckaert, J, De Greve, H.
Deposit date:2009-02-26
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and thermodynamic characterization of pre- and postpolymerization states in the F4 fimbrial subunit FaeG
J.Mol.Biol., 394, 2009
2I1B
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BU of 2i1b by Molmil
CRYSTALLOGRAPHIC REFINEMENT OF INTERLEUKIN-1 BETA AT 2.0 ANGSTROMS RESOLUTION
Descriptor: INTERLEUKIN-1 BETA
Authors:Priestle, J.P, Schaer, H.-P, Gruetter, M.G.
Deposit date:1990-01-02
Release date:1990-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic refinement of interleukin 1 beta at 2.0 A resolution.
Proc.Natl.Acad.Sci.USA, 86, 1989
4YUA
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BU of 4yua by Molmil
Glycogen phosphorylase in complex with ellagic acid
Descriptor: 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Kantsadi, L.A, Stravodimos, A.G, Chatzileontiadou, S.M.D, Leonidas, D.D.
Deposit date:2015-03-18
Release date:2015-05-13
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Natural flavonoids as antidiabetic agents. The binding of gallic and ellagic acids to glycogen phosphorylase b.
Febs Lett., 589, 2015
4RXD
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BU of 4rxd by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Risedronate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2014-12-10
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015

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