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4FP4
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BU of 4fp4 by Molmil
Crystal structure of isoprenoid synthase a3mx09 (target efi-501993) from pyrobaculum calidifontis
Descriptor: GERAN-8-YL GERAN, Polyprenyl synthetase, UNKNOWN ATOM OR 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:2012-06-21
Release date:2012-07-11
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
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
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
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
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
8F8F
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BU of 8f8f by Molmil
The structure of Rv2173 from M. tuberculosis (APO form)
Descriptor: (2E,6E)-farnesyl diphosphate synthase, GLYCEROL, MAGNESIUM ION
Authors:Johnston, J.M, Allison, T.M, Titterington, J.
Deposit date:2022-11-22
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms.
To be Published
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:

1IOB
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BU of 1iob by Molmil
INTERLEUKIN-1 BETA FROM JOINT X-RAY AND NMR REFINEMENT
Descriptor: INTERLEUKIN-1 BETA
Authors:Shaanan, B, Clore, G.M.
Deposit date:1996-03-14
Release date:1996-08-17
Last modified:2024-05-01
Method:SOLUTION NMR (2 Å), X-RAY DIFFRACTION
Cite:Combining experimental information from crystal and solution studies: joint X-ray and NMR refinement.
Science, 257, 1992
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
2J1O
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BU of 2j1o by Molmil
Geranylgeranyl diphosphate synthase from Sinapis alba
Descriptor: GERANYLGERANYL PYROPHOSPHATE SYNTHETASE, GLYCEROL
Authors:Kloer, D.P, Welsch, R, Beyer, P, Schulz, G.E.
Deposit date:2006-08-15
Release date:2007-01-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Reaction Geometry of Geranylgeranyl Diphosphate Synthase from Sinapis Alba.
Biochemistry, 45, 2006
3IMX
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BU of 3imx by Molmil
Crystal Structure of human glucokinase in complex with a synthetic activator
Descriptor: (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ...
Authors:Stams, T, Vash, B.
Deposit date:2009-08-11
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes.
J.Med.Chem., 52, 2009
3CUW
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BU of 3cuw by Molmil
Crystal structure of glycogen phosphorylase b in complex with N-(-D-glucopyranosyl)-N'-(2-naphthyl)oxamides
Descriptor: Glycogen phosphorylase, muscle form, N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine
Authors:Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2008-04-17
Release date:2009-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
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
3MT7
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BU of 3mt7 by Molmil
Glycogen phosphorylase complexed with 4-bromobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-30
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
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:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
3MT8
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BU of 3mt8 by Molmil
Glycogen phosphorylase complexed with 4-chlorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-30
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
6EZA
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BU of 6eza by Molmil
Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K mutant
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Bou-Nader, C, Bregeon, D, Pecqueur, L, Vincent, G, Fontecave, M, Hamdane, D.
Deposit date:2017-11-14
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
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
4MHO
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BU of 4mho by Molmil
Crystal structure of Gpb in complex with S3, SUGAR (N-[(BIPHENYL-4-YLOXY)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE)
Descriptor: Glycogen phosphorylase, muscle form, N-[(biphenyl-4-yloxy)acetyl]-beta-D-glucopyranosylamine
Authors:Kantsadi, A.L, Chatzileontiadou, D.S.M, 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
6EZC
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BU of 6ezc by Molmil
Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K Q305K double mutant
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Bou-Nader, C, Bregeon, D, Vincent, G, Fontecave, M, Hamdane, D.
Deposit date:2017-11-14
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
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
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
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
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
8A7R
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BU of 8a7r by Molmil
PcIDS1_I420A in complex with Mg2+ and GPP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GERANYL DIPHOSPHATE, GLYCEROL, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-21
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023

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数据于2024-07-10公开中

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