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1C8L
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SYNERGISTIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG AND CAFFEINE
分子名称: 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM, CAFFEINE, GLYCEROL, ...
著者Tsitsanou, K.E, Skamnaki, V.T, Oikonomakos, N.G.
登録日2000-05-16
公開日2000-05-31
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of the synergistic inhibition of glycogen phosphorylase a by caffeine and a potential antidiabetic drug.
Arch.Biochem.Biophys., 384, 2000
1AXR
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COOPERATIVITY BETWEEN HYDROGEN-BONDING AND CHARGE-DIPOLE INTERACTIONS IN THE INHIBITION OF BETA-GLYCOSIDASES BY AZOLOPYRIDINES: EVIDENCE FROM A STUDY WITH GLYCOGEN PHOSPHORYLASE B
分子名称: 4,5,6-TRIHYDROXY-7-HYDROXYMETHYL-4,5,6,7-TETRAHYDRO-1H-[1,2,3]TRIAZOLO[1,5-A]PYRIDIN-8-YLIUM, GLYCOGEN PHOSPHORYLASE, PHOSPHATE ION, ...
著者Oikonomakos, N.G, Heightman, T.D.
登録日1997-10-20
公開日1998-01-28
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cooperative interactions of the catalytic nucleophile and the catalytic acid in the inhibition of beta-glycosidases. Calculations and their validation by comparative kinetic and structural studies of the inhibition of glycogen phosphorylase b.
HELV.CHIM.ACTA, 81, 1998
1B0Z
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The crystal structure of phosphoglucose isomerase-an enzyme with autocrine motility factor activity in tumor cells
分子名称: PROTEIN (PHOSPHOGLUCOSE ISOMERASE)
著者Sun, Y.-J, Chou, C.-C, Chen, W.-S, Meng, M, Hsiao, C.-D.
登録日1998-11-15
公開日1999-11-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of phosphoglucose isomerase/autocrine motility factor/neuroleukin complexed with its carbohydrate phosphate inhibitors suggests its substrate/receptor recognition
J.Biol.Chem., 275, 2000
1FA9
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HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH AMP
分子名称: ADENOSINE MONOPHOSPHATE, GLYCOGEN PHOSPHORYLASE, LIVER FORM, ...
著者Rath, V.L, Ammirati, M, LeMotte, P.K, Fennell, K.F, Mansour, M.N, Danley, D.E, Hynes, T.R, Schulte, G.K, Wasilko, D.J, Pandit, J.
登録日2000-07-12
公開日2000-08-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Activation of human liver glycogen phosphorylase by alteration of the secondary structure and packing of the catalytic core.
Mol.Cell, 6, 2000
1FC0
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HUMAN LIVER GLYCOGEN PHOSPHORYLASE COMPLEXED WITH N-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE
分子名称: GLYCOGEN PHOSPHORYLASE, LIVER FORM, N-acetyl-beta-D-glucopyranosylamine, ...
著者Rath, V.L, Ammirati, M, LeMotte, P.K, Fennell, K.F, Mansour, M.M, Danley, D.E, Hynes, T.R, Schulte, G.K, Wasilko, D.J, Pandit, J.
登録日2000-07-17
公開日2000-08-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Activation of human liver glycogen phosphorylase by alteration of the secondary structure and packing of the catalytic core.
Mol.Cell, 6, 2000
4LPH
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Crystal structure of human FPPS in complex with CL03093
分子名称: ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-07-16
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
4MHO
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Crystal structure of Gpb in complex with S3, SUGAR (N-[(BIPHENYL-4-YLOXY)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE)
分子名称: Glycogen phosphorylase, muscle form, N-[(biphenyl-4-yloxy)acetyl]-beta-D-glucopyranosylamine
著者Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2013-08-30
公開日2014-07-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
4MIC
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Crystal structure of Gpb in complex with SUGAR (N-{(2E)-3-[4-(PROPAN-2-YL)PHENYL]PROP-2-ENOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S6)
分子名称: Glycogen phosphorylase, muscle form, N-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-D-glucopyranosylamine
著者Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2013-08-30
公開日2014-07-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献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
4MRA
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Crystal structure of Gpb in complex with QUERCETIN
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
著者Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D.
登録日2013-09-17
公開日2014-05-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Biochemical and biological assessment of the inhibitory potency of extracts from vinification byproducts of Vitis vinifera extracts against glycogen phosphorylase.
Food Chem.Toxicol., 67, 2014
4P0K
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Crystal Structure of Double Loop-Swapped Interleukin-36Ra
分子名称: Interleukin-36 receptor antagonist/Interleukin-36 gamma chimera protein
著者Guenther, S, Sundberg, E.J.
登録日2014-02-21
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor.
J Immunol., 193, 2014
4P0J
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Crystal Structure of Loop-Swapped Interleukin-36Ra
分子名称: Interleukin-36 receptor antagonist/Interleukin-36 gamma chimera protein
著者Guenther, S, Sundberg, E.J.
登録日2014-02-21
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor.
J Immunol., 193, 2014
4NFJ
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Crystal structure of human FPPS in complex with magnesium, JDS05120, and sulfate
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION, ...
著者Park, J, De Schutter, J.W, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-10-31
公開日2014-12-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
5UC6
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Structural insights into IL-1 alpha recognition by a naphthyl-modified aptamer that mimics IL-1RI Domain III
分子名称: DNA (5'-D(*CP*G)-R(P*(85Y))-D(P*GP*AP*G)-R(P*(85Y)P*(85Y))-D(P*A)-R(P*(85Y))-D(P*GP*GP*G)-R(P*(85Y)P*(85Y))-D(P*AP*GP*AP*G)-R(P*(85Y))-D(P*CP*GP*(ATD))-3'), Interleukin-1 alpha, MAGNESIUM ION, ...
著者Ren, X, Pyle, A.
登録日2016-12-21
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for IL-1 alpha recognition by a modified DNA aptamer that specifically inhibits IL-1 alpha signaling.
Nat Commun, 8, 2017
4NKF
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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
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Farnesyl pyrophosphate synthase, ...
著者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.
登録日2013-11-12
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
4NG6
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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
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
著者Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Pilka, E, Kwaasi, A.A, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, Oppermann, U, Russell, R.G.G, Dunford, J.E.
登録日2013-11-01
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
4NFI
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BU of 4nfi by Molmil
Crystal structure of human FPPS in complex with magnesium and JDS05120
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)
著者Park, J, De Schutter, J.W, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-10-31
公開日2014-12-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
4OGU
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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
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者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.
登録日2014-01-16
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
4P0W
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Human farnesyl diphosphate synthase in complex with Arenarone and zoledronate
分子名称: 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Liu, Y.L, Oldfield, E.
登録日2014-02-23
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
4P0V
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Crystal structure of human farnesyl diphosphoate synthase in complex with zoledronate and taxodione
分子名称: (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Liu, Y.L, Oldfield, E.
登録日2014-02-23
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NKE
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BU of 4nke 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
分子名称: 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ...
著者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.
登録日2013-11-12
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献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
4NFK
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Crystal structure of human FPPS in complex with nickel, JDS05120, and sulfate
分子名称: Farnesyl pyrophosphate synthase, NICKEL (II) ION, SULFATE ION, ...
著者Park, J, De schutter, J.W, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-10-31
公開日2014-12-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
4NUA
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BU of 4nua 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
分子名称: 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ...
著者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.
登録日2013-12-03
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献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
4P0X
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Human farnesyl diphosphate synthase in complex with Taxodione
分子名称: (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione, Farnesyl pyrophosphate synthase
著者Liu, Y.L, Oldfield, E.
登録日2014-02-23
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MI3
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BU of 4mi3 by Molmil
Crystal structure of Gpb in complex with SUGAR (N-{(2R)-2-METHYL-3-[4-(PROPAN-2-YL)PHENYL]PROPANOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S21)
分子名称: Glycogen phosphorylase, muscle form, N-{(2R)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-D-glucopyranosylamine
著者Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D.
登録日2013-08-30
公開日2014-07-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
4MI9
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Crystal structure of Gpb in complex with SUGAR (N-[(3R)-3-(4-ETHYLPHENYL)BUTANOYL]-BETA-D-GLUCOPYRANOSYLAMINE) (S20)
分子名称: Glycogen phosphorylase, muscle form, N-[(3R)-3-(4-ethylphenyl)butanoyl]-beta-D-glucopyranosylamine
著者Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2013-08-30
公開日2014-07-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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

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