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5LRC
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BU of 5lrc by Molmil
Crystal structure of Glycogen Phosphorylase in complex with KS114
Descriptor: (1S)-1,5-anhydro-1-(5-phenyl-4H-1,2,4-triazol-3-yl)-D-glucitol, Glycogen phosphorylase, muscle form, ...
Authors:Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2016-08-18
Release date:2017-06-14
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (2 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
1I1B
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BU of 1i1b by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN INTERLEUKIN-1BETA AT 2.0 ANGSTROMS RESOLUTION
Descriptor: INTERLEUKIN-1 BETA
Authors:Finzel, B.C, Watenpaugh, K.D, Einspahr, H.M.
Deposit date:1989-12-05
Release date:1990-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of recombinant human interleukin-1 beta at 2.0 A resolution.
J.Mol.Biol., 209, 1989
3EBP
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BU of 3ebp by Molmil
Glycogen Phosphorylase b/flavopiridol complex
Descriptor: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Glycogen phosphorylase, muscle form
Authors:Oikonomakos, N.G, Zographos, S.E, Leonidas, D.D, Hayes, J.M, Tiraidis, C, Alexacou, K.-M.
Deposit date:2008-08-28
Release date:2009-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol
Food Chem.Toxicol., 61, 2013
3L7B
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BU of 3l7b by Molmil
Crystal Structure of Glycogen Phosphorylase DK3 complex
Descriptor: 4-amino-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form
Authors:Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D.
Deposit date:2009-12-28
Release date:2010-10-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.
Bioorg.Med.Chem., 18, 2010
8UGP
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BU of 8ugp by Molmil
In-situ structure of typeA supercomplex in respiratory chain ( local refined map focused on CI iron-sulfur cluster regions )
Descriptor: IRON/SULFUR CLUSTER, NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12, NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6, ...
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 Å)
Cite:High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
2RAH
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BU of 2rah by Molmil
Human FDPS synthase in complex with novel inhibitor
Descriptor: Farnesyl pyrophosphate synthetase, MAGNESIUM ION, SULFATE ION, ...
Authors:Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M.
Deposit date:2007-09-15
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human FDPS synthase in complex with novel inhibitor
To be Published
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
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
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
1P4J
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BU of 1p4j by Molmil
Crystal structure of glycogen phosphorylase b in complex with C-(1-hydroxy-beta-D-glucopyranosyl)formamide
Descriptor: (2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide, Glycogen phosphorylase, muscle form, ...
Authors:Chrysina, E.D, Oikonomakos, N.G, Zographos, S.E, Kosmopoulou, M.N, Bischler, N, Leonidas, D.D, Nagy, V, Somsak, L, Gergely, P, Praly, J.-P.
Deposit date:2003-04-23
Release date:2004-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crsytallographic Studies on alpha- and beta-D-glucopyranosyl Formamide Analogues, Inhibitors of Glycogen Phosphorylase
Biocatal.Biotransfor., 21, 2003
4EL5
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BU of 4el5 by Molmil
Crystal structure of GPb in complex with DK12
Descriptor: 5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
Authors:Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2012-04-10
Release date:2012-07-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
2FOR
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BU of 2for by Molmil
Crystal Structure of the Shigella flexneri Farnesyl Pyrophosphate Synthase Complex with an Isopentenyl Pyrophosphate
Descriptor: Geranyltranstransferase, ISOPENTYL PYROPHOSPHATE, PHOSPHATE ION
Authors:Minasov, G, Brunzelle, J.S, Shuvalova, L, Collart, F.R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-01-13
Release date:2006-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Shigella flexneri Farnesyl Pyrophosphate Synthase Complex with an Isopentenyl Pyrophosphate
To be Published
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
3EGT
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BU of 3egt by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-722
Descriptor: 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION
Authors:Cao, R, Gao, Y, Robinson, H, Oldfield, E.
Deposit date:2008-09-11
Release date:2009-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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
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
4I1B
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BU of 4i1b by Molmil
FUNCTIONAL IMPLICATIONS OF INTERLEUKIN-1BETA BASED ON THE THREE-DIMENSIONAL STRUCTURE
Descriptor: INTERLEUKIN-1 BETA
Authors:Veerapandian, B, Poulos, T.L, Gilliland, G.L, Raag, R, Svensson, L.A, Masui, Y, Hirai, Y.
Deposit date:1990-03-27
Release date:1990-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional implications of interleukin-1 beta based on the three-dimensional structure.
Proteins, 12, 1992
2QN9
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BU of 2qn9 by Molmil
Glycogen Phosphorylase in complex with N-4-aminobenzoyl-N'-beta-D-glucopyranosyl urea
Descriptor: Glycogen phosphorylase, muscle form, INOSINIC ACID, ...
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:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:N-(4-substituted-benzoyl)-N'-(beta-D-glucopyranosyl)ureas, inhibitors of glycogen phosphorylase: synthesis, kinetic and crystallographic evaluation
To be Published
2ZEU
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BU of 2zeu by Molmil
S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with BPH-715
Descriptor: 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase
Authors:Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-12-17
Release date:2008-12-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation
J.Am.Chem.Soc., 131, 2009
1WQ9
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BU of 1wq9 by Molmil
Crystal structure of VR-1, a VEGF-F from a snake venom
Descriptor: Vascular endothelial growth factor
Authors:Suto, K, Yamazaki, Y, Morita, T, Mizuno, H.
Deposit date:2004-09-24
Release date:2004-12-07
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of novel vascular endothelial growth factors (VEGF) from snake venoms: insight into selective VEGF binding to kinase insert domain-containing receptor but not to fms-like tyrosine kinase-1.
J.Biol.Chem., 280, 2005
1ILT
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BU of 1ilt by Molmil
X-RAY STRUCTURE OF INTERLEUKIN-1 RECEPTOR ANTAGONIST AT 2.0 ANGSTROMS RESOLUTION
Descriptor: INTERLEUKIN-1 RECEPTOR ANTAGONIST
Authors:Brandhuber, B.J, Vigers, G.P.A.
Deposit date:1994-03-09
Release date:1995-04-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of interleukin-1 receptor antagonist at 2.0-A resolution.
J.Biol.Chem., 269, 1994
3EFQ
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BU of 3efq by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-714
Descriptor: 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION
Authors:Cao, R, Gao, Y, Robinson, H, Oldfield, E.
Deposit date:2008-09-09
Release date:2009-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
31BI
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BU of 31bi by Molmil
INTERLEUKIN-1 BETA (IL-1 BETA) (MUTANT WITH CYS 71 REPLACED BY SER) (C71S)
Descriptor: INTERLEUKIN-1 BETA PRECURSOR
Authors:Veerapandian, B, Poulos, T.L, Gilliland, G.L, Masui, Y, Hirai, Y.
Deposit date:1991-03-21
Release date:1992-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:

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
7S0M
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BU of 7s0m by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723T, bound with non-productive isopentenyl diphosphate
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Terpene synthase
Authors:Ronnebaum, T.A, Christianson, D.W.
Deposit date:2021-08-30
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021

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數據於2024-10-09公開中

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