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5TC2
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BU of 5tc2 by Molmil
C-terminal domain of HIV-1 integrase, crystal structure
Descriptor: GLYCEROL, integrase
Authors:Tsirkone, V.G, Strelkov, S.V.
Deposit date:2016-09-14
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Interaction of TRN-SR2 with HIV Integrase
To Be Published
3L7D
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BU of 3l7d by Molmil
Crystal Structure of Glycogen Phosphorylase DK5 complex
Descriptor: 1-(2,3-dideoxy-3-fluoro-beta-D-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]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
3L7A
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BU of 3l7a by Molmil
Crystal Structure of Glycogen Phosphorylase DK2 complex
Descriptor: 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-4-[(phenylcarbonyl)amino]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 (1.9 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
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
3L79
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BU of 3l79 by Molmil
Crystal Structure of Glycogen Phosphorylase DK1 complex
Descriptor: 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, 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 (1.86 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
3L7C
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BU of 3l7c by Molmil
Crystal Structure of Glycogen Phosphorylase DK4 complex
Descriptor: 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione, 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 (1.93 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
3DXH
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BU of 3dxh by Molmil
Ribonuclease A uridine 5' diphosphate complex
Descriptor: Ribonuclease pancreatic, URIDINE-5'-DIPHOSPHATE
Authors:Tsirkone, V.G, Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Kontou, M.
Deposit date:2008-07-24
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inhibitor design to Ribonuclease A: The binding of two 5'phosphate uridine analogues
Acta Crystallogr.,Sect.F, 2009
3DXG
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BU of 3dxg by Molmil
Ribonuclease A- uridine 5' phosphate complex
Descriptor: Ribonuclease pancreatic, URIDINE-5'-MONOPHOSPHATE
Authors:Tsirkone, V.G, Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Kontou, M.
Deposit date:2008-07-24
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Inhibitor design to Ribonuclease A: The binding of two 5'phosphate uridine analogues
Acta Crystallogr.,Sect.F, 2009
4OL0
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BU of 4ol0 by Molmil
Crystal structure of transportin-SR2, a karyopherin involved in human disease, in complex with Ran
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tsirkone, V.G, Strelkov, S.V.
Deposit date:2014-01-23
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of transportin SR2, a karyopherin involved in human disease, in complex with Ran.
Acta Crystallogr.,Sect.F, 70, 2014
6TTJ
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BU of 6ttj by Molmil
Neutral invertase 2 from Arabidopsis thaliana
Descriptor: Alkaline/neutral invertase CINV1
Authors:Tsirkone, V.G, Osipov, E.M, Beelen, S, Strelkov, S.V.
Deposit date:2019-12-27
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.392 Å)
Cite:Crystal structure of Arabidopsis thaliana neutral invertase 2.
Acta Crystallogr.,Sect.F, 76, 2020
5EOP
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BU of 5eop by Molmil
Crystal structure of human Angiogenin at 1.35 Angstroms resolution
Descriptor: Angiogenin
Authors:Chatzileontiadou, D.S.M, Tsirkone, V.G, Dossi, K, Leonidas, D.D.
Deposit date:2015-11-10
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The ammonium sulfate inhibition of human angiogenin.
Febs Lett., 590, 2016
5EPZ
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BU of 5epz by Molmil
Human Angiogenin in complex with sulphate anions at a basic solution
Descriptor: Angiogenin, GLYCEROL, SULFATE ION
Authors:Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2015-11-12
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The ammonium sulfate inhibition of human angiogenin.
Febs Lett., 590, 2016
5EQO
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BU of 5eqo by Molmil
Human Angiogenin in complex with sulphate anions at an acidic solution
Descriptor: Angiogenin, SULFATE ION
Authors:Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2015-11-13
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The ammonium sulfate inhibition of human angiogenin.
Febs Lett., 590, 2016
3DJO
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BU of 3djo by Molmil
Bovine Seminal Ribonuclease uridine 2' phosphate complex
Descriptor: ACETATE ION, PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER, Seminal ribonuclease
Authors:Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2008-06-24
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors
Eur.J.Med.Chem., 44, 2009
3DJX
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BU of 3djx by Molmil
Bovine Seminal Ribonuclease- cytidine 5' phosphate complex
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, Seminal ribonuclease
Authors:Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2008-06-24
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors
Eur.J.Med.Chem., 44, 2009
3DJQ
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BU of 3djq by Molmil
Bovine Seminal Ribonuclease- Uridine 5' diphosphate complex
Descriptor: Seminal ribonuclease, URIDINE-5'-DIPHOSPHATE
Authors:Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2008-06-24
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors
Eur.J.Med.Chem., 44, 2009
3DJV
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BU of 3djv by Molmil
Bovine Seminal Ribonuclease- cytidine 3' phosphate complex
Descriptor: CYTIDINE-3'-MONOPHOSPHATE, Seminal ribonuclease
Authors:Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2008-06-24
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors
Eur.J.Med.Chem., 44, 2009
3DJP
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BU of 3djp by Molmil
Bovine Seminal Ribonuclease- Uridine 3' phosphate complex
Descriptor: Seminal ribonuclease, URACIL ARABINOSE-3'-PHOSPHATE
Authors:Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2008-06-24
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors
Eur.J.Med.Chem., 44, 2009
4MI6
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BU of 4mi6 by Molmil
Crystal structure of Gpb in complex with SUGAR (N-[4-(5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)BUTANOYL]-BETA-D-GLUCOPYRANOSYLAMINE)
Descriptor: Glycogen phosphorylase, muscle form, N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-D-glucopyranosylamine
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 (1.9 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
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
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)
Descriptor: Glycogen phosphorylase, muscle form, N-{(2R)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-D-glucopyranosylamine
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 (2.15 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
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
4MIC
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BU of 4mic by Molmil
Crystal structure of Gpb in complex with SUGAR (N-{(2E)-3-[4-(PROPAN-2-YL)PHENYL]PROP-2-ENOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S6)
Descriptor: Glycogen phosphorylase, muscle form, N-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-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 (2.45 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
4MI9
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BU of 4mi9 by Molmil
Crystal structure of Gpb in complex with SUGAR (N-[(3R)-3-(4-ETHYLPHENYL)BUTANOYL]-BETA-D-GLUCOPYRANOSYLAMINE) (S20)
Descriptor: Glycogen phosphorylase, muscle form, N-[(3R)-3-(4-ethylphenyl)butanoyl]-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 (1.85 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

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