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6P9E
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BU of 6p9e by Molmil
Crystal structure of IL-36gamma complexed to A-552
分子名称: (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma
著者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.
登録日2019-06-10
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis.
Sci Rep, 9, 2019
2QN9
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BU of 2qn9 by Molmil
Glycogen Phosphorylase in complex with N-4-aminobenzoyl-N'-beta-D-glucopyranosyl urea
分子名称: Glycogen phosphorylase, muscle form, INOSINIC ACID, ...
著者Chrysina, E.D, Tiraidis, C, Alexacou, K.-M, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G.
登録日2007-07-18
公開日2008-07-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N-(4-substituted-benzoyl)-N'-(beta-D-glucopyranosyl)ureas, inhibitors of glycogen phosphorylase: synthesis, kinetic and crystallographic evaluation
To be Published
6N7Y
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BU of 6n7y by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-102
分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, PHOSPHATE ION, ...
著者Park, J, Berghuis, A.M.
登録日2018-11-28
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
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
分子名称: Glycogen phosphorylase, muscle form, N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine
著者Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
登録日2008-04-17
公開日2009-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
6N83
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BU of 6n83 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037
分子名称: CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ...
著者Park, J, Schilling, M.A, Berghuis, A.M.
登録日2018-11-28
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
1ILT
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BU of 1ilt by Molmil
X-RAY STRUCTURE OF INTERLEUKIN-1 RECEPTOR ANTAGONIST AT 2.0 ANGSTROMS RESOLUTION
分子名称: INTERLEUKIN-1 RECEPTOR ANTAGONIST
著者Brandhuber, B.J, Vigers, G.P.A.
登録日1994-03-09
公開日1995-04-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of interleukin-1 receptor antagonist at 2.0-A resolution.
J.Biol.Chem., 269, 1994
8A7R
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BU of 8a7r by Molmil
PcIDS1_I420A in complex with Mg2+ and GPP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GERANYL DIPHOSPHATE, GLYCEROL, ...
著者Ecker, F, Boland, W, Groll, M.
登録日2022-06-21
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
3L7D
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BU of 3l7d by Molmil
Crystal Structure of Glycogen Phosphorylase DK5 complex
分子名称: 1-(2,3-dideoxy-3-fluoro-beta-D-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form
著者Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D.
登録日2009-12-28
公開日2010-10-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
2RAH
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BU of 2rah by Molmil
Human FDPS synthase in complex with novel inhibitor
分子名称: Farnesyl pyrophosphate synthetase, MAGNESIUM ION, SULFATE ION, ...
著者Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M.
登録日2007-09-15
公開日2007-09-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human FDPS synthase in complex with novel inhibitor
To be Published
8F8F
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BU of 8f8f by Molmil
The structure of Rv2173 from M. tuberculosis (APO form)
分子名称: (2E,6E)-farnesyl diphosphate synthase, GLYCEROL, MAGNESIUM ION
著者Johnston, J.M, Allison, T.M, Titterington, J.
登録日2022-11-22
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms.
To be Published
1WQ9
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BU of 1wq9 by Molmil
Crystal structure of VR-1, a VEGF-F from a snake venom
分子名称: Vascular endothelial growth factor
著者Suto, K, Yamazaki, Y, Morita, T, Mizuno, H.
登録日2004-09-24
公開日2004-12-07
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
4IXC
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BU of 4ixc by Molmil
Crystal structure of Human Glucokinase in complex with a small molecule activator.
分子名称: (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, ...
著者Ogg, D.J, Hargreaves, D, Gerhardt, S.
登録日2013-01-25
公開日2013-04-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content
To be Published
4IZE
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BU of 4ize by Molmil
Crystal Structure of IL-36gamma
分子名称: Interleukin-36 gamma
著者Guenther, S, Sundberg, E.J.
登録日2013-01-29
公開日2014-06-25
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor.
J.Immunol., 193, 2014
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
分子名称: CALCIUM ION, DIMETHYLALLYL DIPHOSPHATE, PYROPHOSPHATE 2-, ...
著者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)
登録日2010-09-23
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
2CO6
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BU of 2co6 by Molmil
Salmonella enterica SafA pilin in complex with the SafB chaperone (Type I)
分子名称: PUTATIVE FIMBRIAE ASSEMBLY CHAPERONE, PUTATIVE OUTER MEMBRANE PROTEIN
著者Remaut, H, Rose, R.J, Hannan, T.J, Hultgren, S.J, Radford, S.E, Ashcroft, A.E, Waksman, G.
登録日2006-05-25
公開日2006-06-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Donor-Strand Exchange in Chaperone-Assisted Pilus Assembly Proceeds Through a Concerted Beta-Strand Displacement Mechanism
Mol.Cell, 22, 2006
3P8L
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BU of 3p8l by Molmil
Crystal structure of polyprenyl synthase from Enterococcus faecalis V583
分子名称: Geranyltranstransferase
著者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)
登録日2010-10-14
公開日2010-11-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
3L7B
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BU of 3l7b by Molmil
Crystal Structure of Glycogen Phosphorylase DK3 complex
分子名称: 4-amino-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form
著者Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D.
登録日2009-12-28
公開日2010-10-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
1IOB
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BU of 1iob by Molmil
INTERLEUKIN-1 BETA FROM JOINT X-RAY AND NMR REFINEMENT
分子名称: INTERLEUKIN-1 BETA
著者Shaanan, B, Clore, G.M.
登録日1996-03-14
公開日1996-08-17
最終更新日2024-05-01
実験手法SOLUTION NMR (2 Å), X-RAY DIFFRACTION
主引用文献Combining experimental information from crystal and solution studies: joint X-ray and NMR refinement.
Science, 257, 1992
3GEW
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BU of 3gew by Molmil
FaeE-FaeG chaperone-major pilin complex of F4 ad fimbriae
分子名称: Chaperone protein faeE, GLYCEROL, K88 fimbrial protein AD, ...
著者Van Molle, I, Moonens, K, Garcia-Pino, A, Buts, L, Bouckaert, J, De Greve, H.
登録日2009-02-26
公開日2009-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and thermodynamic characterization of pre- and postpolymerization states in the F4 fimbrial subunit FaeG
J.Mol.Biol., 394, 2009
3G2K
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BU of 3g2k by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole
分子名称: 1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form
著者Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
登録日2009-01-31
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
1B4D
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BU of 1b4d by Molmil
AMIDOCARBAMATE INHIBITOR OF GLYCOGEN PHOSPHORYLASE
分子名称: 1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE, INOSINIC ACID, PROTEIN (GLYCOGEN PHOSPHORYLASE B), ...
著者Tsitsanou, K.E, Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Gregoriou, M, Watson, K.A, Johnson, L.N, Fleet, G.W.J.
登録日1998-12-18
公開日1998-12-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effects of commonly used cryoprotectants on glycogen phosphorylase activity and structure.
Protein Sci., 8, 1999
3G2I
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BU of 3g2i by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole
分子名称: 1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form
著者Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
登録日2009-01-31
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
3UCA
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BU of 3uca by Molmil
Crystal structure of isoprenoid synthase (target EFI-501974) from clostridium perfringens
分子名称: Geranyltranstransferase
著者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)
登録日2011-10-26
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
1LWN
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BU of 1lwn by Molmil
Crystal structure of rabbit muscle glycogen phosphorylase a in complex with a potential hypoglycaemic drug at 2.0 A resolution
分子名称: PYRIDOXAL-5'-PHOSPHATE, alpha-D-glucopyranose, glycogen phosphorylase
著者Oikonomakos, N.G, Chrysina, E.D, Kosmopoulou, M, Leonidas, D.D.
登録日2002-06-01
公開日2002-06-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of rabbit muscle glycogen phosphorylase a in complex with a potential hypoglycaemic drug at 2.0 A resolution
BIOCHEM.BIOPHYS.ACTA PROTEINS & PROTEOMICS, 1647, 2003
4RXD
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BU of 4rxd by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Risedronate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2014-12-10
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015

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