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3SYM
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BU of 3sym by Molmil
Glycogen Phosphorylase b in complex with 3 -C-(hydroxymethyl)-beta-D-glucopyranonucleoside of 5-fluorouracil
Descriptor: 5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
Authors:Skamnaki, V.T, Katsandi, A.L, Kontou, M, Leonidas, D.D.
Deposit date:2011-07-18
Release date:2012-02-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:3'-Axial CH(2) OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why.
Chem.Biol.Drug Des., 79, 2012
3Q88
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BU of 3q88 by Molmil
Glucose-6-phosphate isomerase from Francisella tularensis complexed with ribose 1,5-bisphosphate.
Descriptor: 1,5-di-O-phosphono-alpha-D-ribofuranose, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Osipiuk, J, Maltseva, N, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-01-06
Release date:2011-01-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Glucose-6-phosphate isomerase from Francisella tularensis.
To be Published
3QKI
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BU of 3qki by Molmil
Crystal structure of Glucose-6-Phosphate Isomerase (PF14_0341) from Plasmodium falciparum 3D7
Descriptor: Glucose-6-phosphate isomerase
Authors:Gileadi, T, Wernimont, A.K, Hutchinson, A, Weadge, J, Cossar, D, Lew, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Hills, T, Pizarro, J.C, Structural Genomics Consortium (SGC)
Deposit date:2011-02-01
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of Glucose-6-Phosphate Isomerase (PF14_0341) from Plasmodium falciparum 3D7
TO BE PUBLISHED
3RBM
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BU of 3rbm by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH -703
Descriptor: 3-(2,2-diphosphonoethyl)-1-dodecyl-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Liu, Y.L, No, J.H, Oldfield, E.
Deposit date:2011-03-29
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
3Q7I
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BU of 3q7i by Molmil
Glucose-6-phosphate isomerase from Francisella tularensis complexed with 6-phosphogluconic acid.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-PHOSPHOGLUCONIC ACID, CALCIUM ION, ...
Authors:Osipiuk, J, Maltseva, N, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-01-04
Release date:2011-02-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Glucose-6-phosphate isomerase from Francisella tularensis.
To be Published
3TS7
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BU of 3ts7 by Molmil
CRYSTAL STRUCTURE OF FARNESYL DIPHOSPHATE SYNTHASE (TARGET EFI-501951) FROM Methylococcus capsulatus
Descriptor: Geranyltranstransferase, PHOSPHATE ION
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2011-09-12
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
3UCA
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BU of 3uca by Molmil
Crystal structure of isoprenoid synthase (target EFI-501974) from clostridium perfringens
Descriptor: Geranyltranstransferase
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2011-10-26
Release date:2011-11-16
Last modified:2023-09-13
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
4G6M
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BU of 4g6m by Molmil
Crystal structure of human IL-1beta in complex with therapeutic antibody binding fragment of gevokizumab
Descriptor: Interleukin-1 beta, heavy chain of gevokizumab antibody binding fragment, light chain of gevokizumab antibody binding fragment
Authors:Blech, M, Hoerer, S.
Deposit date:2012-07-19
Release date:2012-12-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of human IL-1beta in complex with therapeutic antibody binding fragment of gevokizumab
J.Mol.Biol., 425, 2013
4X39
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BU of 4x39 by Molmil
Gallus interleukin-1 beta mutant - T117A
Descriptor: IL-1 beta
Authors:Yin, H.S, Cheng, W.T.
Deposit date:2014-11-28
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Gallus interleukin-1 beta mutant - T117A
To Be Published
4X38
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BU of 4x38 by Molmil
Gallus interleukin-1 beta mutant - E118A
Descriptor: IL-1 beta
Authors:Yin, H.S, Cheng, W.T.
Deposit date:2014-11-28
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Gallus interleukin-1 beta mutant - E118A
To Be Published
4XFU
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BU of 4xfu by Molmil
Structure of IL-18 SER Mutant V
Descriptor: Interleukin-18
Authors:Krumm, B.E, Meng, X, Xiang, Y, Deng, J.
Deposit date:2014-12-29
Release date:2015-06-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
4XFT
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BU of 4xft by Molmil
Structure of IL-18 SER Mutant III
Descriptor: DIMETHYL SULFOXIDE, Interleukin-18
Authors:Krumm, B.E, Meng, X, Xiang, Y, Deng, J.
Deposit date:2014-12-29
Release date:2015-06-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
4XFS
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BU of 4xfs by Molmil
Structure of IL-18 SER Mutant I
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Interleukin-18
Authors:Krumm, B.E, Meng, X, Xiang, Y, Deng, J.
Deposit date:2014-12-28
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
4H5E
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BU of 4h5e by Molmil
Crystal structure of human FPPS in ternary complex with YS0470 and isopentenyl pyrophosphate
Descriptor: Farnesyl pyrophosphate synthase, ISOPENTYL PYROPHOSPHATE, MAGNESIUM ION, ...
Authors:Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2012-09-18
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Ternary complex structures of human farnesyl pyrophosphate synthase bound with a novel inhibitor and secondary ligands provide insights into the molecular details of the enzyme's active site closure.
Bmc Struct.Biol., 12, 2012
4H5D
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BU of 4h5d by Molmil
Crystal structure of human FPPS in ternary complex with YS0470 and inorganic pyrophosphate
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2012-09-18
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Ternary complex structures of human farnesyl pyrophosphate synthase bound with a novel inhibitor and secondary ligands provide insights into the molecular details of the enzyme's active site closure.
Bmc Struct.Biol., 12, 2012
4XQR
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BU of 4xqr by Molmil
Crystal structure of unliganded human FPPS at 2.15 angstrom resolution
Descriptor: Farnesyl pyrophosphate synthase, PHOSPHATE ION
Authors:Park, J, Berghuis, A.M.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of unliganded human FPPS at 2.15 angstrom resolution
To Be Published
4HJJ
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BU of 4hjj by Molmil
Structure Reveals Function of the Dual Variable Domain Immunoglobulin (DVD-Ig) Molecule
Descriptor: Anti-IL12 Anti-IL18 DFab Heavy Chain, Anti-IL12 Anti-IL18 DFab Light Chain, CHLORIDE ION, ...
Authors:Jakob, C.G, Edalji, R, Judge, R.A, DiGiammarino, E, Li, Y, Gu, J, Ghayur, T.
Deposit date:2012-10-12
Release date:2013-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure reveals function of the dual variable domain immunoglobulin (DVD-Ig[TM]) molecule
MAbs, 5, 2013
4HQX
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BU of 4hqx by Molmil
CRYSTAL STRUCTURE OF HUMAN PDGF-BB IN COMPLEX WITH A Modified nucleotide aptamer (SOMAmer SL4)
Descriptor: MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ...
Authors:Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C.
Deposit date:2012-10-26
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets.
Proc.Natl.Acad.Sci.USA, 109, 2012
4HQU
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BU of 4hqu by Molmil
Crystal structure of human PDGF-BB in complex with a modified nucleotide aptamer (SOMAmer SL5)
Descriptor: MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ...
Authors:Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C.
Deposit date:2012-10-26
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets.
Proc.Natl.Acad.Sci.USA, 109, 2012
4XQT
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BU of 4xqt by Molmil
Crystal structure of human FPPS in complex with three magnesium ions
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION
Authors:Park, J, Berghuis, A.M.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human FPPS in complex with three magnesium ions
To Be Published
4XQS
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Crystal structure of human FPPS in complex with one magnesium ion
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION
Authors:Park, J, Berghuis, A.M.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human FPPS in complex with one magnesium ion
To Be Published
4YI3
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BU of 4yi3 by Molmil
Crystal structure of Gpb in complex with 4a
Descriptor: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
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
4IZE
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BU of 4ize by Molmil
Crystal Structure of IL-36gamma
Descriptor: Interleukin-36 gamma
Authors:Guenther, S, Sundberg, E.J.
Deposit date:2013-01-29
Release date:2014-06-25
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor.
J.Immunol., 193, 2014
3WO2
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BU of 3wo2 by Molmil
Crystal structure of human interleukin-18
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Interleukin-18, SULFATE ION
Authors:Tsutsumi, N, Kimura, T, Arita, K, Ariyoshi, M, Ohnishi, H, Kondo, N, Shirakawa, M, Kato, Z, Tochio, H.
Deposit date:2013-12-19
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The structural basis for receptor recognition of human interleukin-18
Nat Commun, 5, 2014
3ZCS
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BU of 3zcs by Molmil
Rabbit muscle glycogen phosphorylase b in complex with N-(1-naphthoyl) -N-beta-D-glucopyranosyl urea determined at 2.07 A resolution
Descriptor: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, INOSINIC ACID, ...
Authors:Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L.
Deposit date:2012-11-21
Release date:2013-12-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents
To be Published

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